D470-0294 Screening compound: methyl 2-({[2-methoxy-5-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]sulfonyl}amino)benzoate

D470-0294 Screening compound: methyl 2-({[2-methoxy-5-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]sulfonyl}amino)benzoate
D470-0294 Screening compound: methyl 2-({[2-methoxy-5-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]sulfonyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D470-0294
methyl 2-({[2-methoxy-5-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]sulfonyl}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

D470-0294

Molecular Formula

C18H18N2O8S2 (C18 H18 N2 O8 S2)

Compound Name

methyl 2-({[2-methoxy-5-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]sulfonyl}amino)benzoate

IUPAC name

methyl 2-[2-methoxy-5-(113-trioxo-1lambda62-thiazolidin-2-yl)benzenesulfonamido]benzoate

SMILES

COC(c(cccc1)c1NS(c(cc(cc1)N(C(CC2)=O)S2(=O)=O)c1OC)(=O)=O)=O

InChI

InChI=1S/C18H18N2O8S2/c1-27-15-8-7-12(20-17(21)9-10-29(20,23)24)11-16(15)30(25,26)19-14-6-4-3-5-13(14)18(22)28-2/h3-8,11,19H,9-10H2,1-2H3

InChI Key

KLYGBVBNGITHFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10480683

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.48

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.018

Distribution Coefficient, logD

-1.653

Water Solubility, LogSw

-2.43

Polar Surface Area

114.411

Acid Dissociation Constant (pKa)

4.73

Base Dissociation Constant (pKb)

-12.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

D470-0294 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 D470-0294 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D470-0294?
Check Price and Availability of D470-0294, 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 D470-0294 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D470-0294
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D470-0294
  • 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 D470-0294 available by request