D257-0695 Screening compound: N~1~-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzimidazol-5-yl)-2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetamide

D257-0695 Screening compound: N~1~-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzimidazol-5-yl)-2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetamide
D257-0695 Screening compound: N~1~-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzimidazol-5-yl)-2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D257-0695
N~1~-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzimidazol-5-yl)-2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

D257-0695

Molecular Formula

C18H16N4O5S (C18 H16 N4 O5 S)

Compound Name

N~1~-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzimidazol-5-yl)-2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetamide

IUPAC name

N-(13-dimethyl-2-oxo-23-dihydro-1H-13-benzodiazol-5-yl)-2-(113-trioxo-23-dihydro-1lambda62-benzothiazol-2-yl)acetamide

SMILES

CN(c(ccc(NC(CN(C(c1c2cccc1)=O)S2(=O)=O)=O)c1)c1N1C)C1=O

InChI

InChI=1S/C18H16N4O5S/c1-20-13-8-7-11(9-14(13)21(2)18(20)25)19-16(23)10-22-17(24)12-5-3-4-6-15(12)28(22,26)27/h3-9H,10H2,1-2H3,(H,19,23)

InChI Key

OKBWZFHGZQDWOT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07396482

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.42

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.931

Distribution Coefficient, logD

0.931

Water Solubility, LogSw

-2.62

Polar Surface Area

86.018

Acid Dissociation Constant (pKa)

11.97

Base Dissociation Constant (pKb)

-0.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

D257-0695 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Others
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D257-0695 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D257-0695?
Check Price and Availability of D257-0695, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D257-0695 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D257-0695
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D257-0695
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of D257-0695 available by request