D257-0699 Screening compound: methyl 4,5-dimethoxy-2-{[2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetyl]amino}benzoate

D257-0699 Screening compound: methyl 4,5-dimethoxy-2-{[2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetyl]amino}benzoate
D257-0699 Screening compound: methyl 4,5-dimethoxy-2-{[2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetyl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D257-0699
methyl 4,5-dimethoxy-2-{[2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetyl]amino}benzoate

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

D257-0699

Molecular Formula

C19H18N2O8S (C19 H18 N2 O8 S)

Compound Name

methyl 4,5-dimethoxy-2-{[2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetyl]amino}benzoate

IUPAC name

methyl 45-dimethoxy-2-[2-(113-trioxo-23-dihydro-1lambda62-benzothiazol-2-yl)acetamido]benzoate

SMILES

COC(c(cc(c(OC)c1)OC)c1NC(CN(C(c1c2cccc1)=O)S2(=O)=O)=O)=O

InChI

InChI=1S/C19H18N2O8S/c1-27-14-8-12(19(24)29-3)13(9-15(14)28-2)20-17(22)10-21-18(23)11-6-4-5-7-16(11)30(21,25)26/h4-9H,10H2,1-3H3,(H,20,22)

InChI Key

LFYITDURLBJZSW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07433582

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.43

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.885

Distribution Coefficient, logD

0.750

Water Solubility, LogSw

-2.57

Polar Surface Area

104.070

Acid Dissociation Constant (pKa)

7.84

Base Dissociation Constant (pKb)

-2.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

D257-0699 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D257-0699 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D257-0699?
Check Price and Availability of D257-0699, 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 D257-0699 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D257-0699
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D257-0699
  • 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 D257-0699 available by request