D257-0698 Screening compound: N~1~-(3-methoxypropyl)-2-{[2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetyl]amino}benzamide

D257-0698 Screening compound: N~1~-(3-methoxypropyl)-2-{[2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetyl]amino}benzamide
D257-0698 Screening compound: N~1~-(3-methoxypropyl)-2-{[2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetyl]amino}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D257-0698
N~1~-(3-methoxypropyl)-2-{[2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetyl]amino}benzamide

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

D257-0698

Molecular Formula

C20H21N3O6S (C20 H21 N3 O6 S)

Compound Name

N~1~-(3-methoxypropyl)-2-{[2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetyl]amino}benzamide

IUPAC name

N-(3-methoxypropyl)-2-[2-(113-trioxo-23-dihydro-1lambda62-benzothiazol-2-yl)acetamido]benzamide

SMILES

COCCCNC(c(cccc1)c1NC(CN(C(c1c2cccc1)=O)S2(=O)=O)=O)=O

InChI

InChI=1S/C20H21N3O6S/c1-29-12-6-11-21-19(25)14-7-2-4-9-16(14)22-18(24)13-23-20(26)15-8-3-5-10-17(15)30(23,27)28/h2-5,7-10H,6,11-13H2,1H3,(H,21,25)(H,22,24)

InChI Key

VFGKMUHTONJRAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06753229

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.47

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.702

Distribution Coefficient, logD

0.702

Water Solubility, LogSw

-2.42

Polar Surface Area

100.504

Acid Dissociation Constant (pKa)

10.67

Base Dissociation Constant (pKb)

-2.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D257-0698 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D257-0698 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D257-0698?
Check Price and Availability of D257-0698, 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 D257-0698 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D257-0698
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D257-0698
  • 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 D257-0698 available by request