D470-0297 Screening compound: methyl 4-chloro-3-({[2-methoxy-5-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]sulfonyl}amino)benzoate

D470-0297 Screening compound: methyl 4-chloro-3-({[2-methoxy-5-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]sulfonyl}amino)benzoate
D470-0297 Screening compound: methyl 4-chloro-3-({[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 D470-0297
methyl 4-chloro-3-({[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

D470-0297

Molecular Formula

C18H17ClN2O8S2 (C18 H17 ClN2 O8 S2)

Compound Name

methyl 4-chloro-3-({[2-methoxy-5-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]sulfonyl}amino)benzoate

IUPAC name

methyl 4-chloro-3-[2-methoxy-5-(113-trioxo-1lambda62-thiazolidin-2-yl)benzenesulfonamido]benzoate

SMILES

COC(c(cc1)cc(NS(c(cc(cc2)N(C(CC3)=O)S3(=O)=O)c2OC)(=O)=O)c1Cl)=O

InChI

InChI=1S/C18H17ClN2O8S2/c1-28-15-6-4-12(21-17(22)7-8-30(21,24)25)10-16(15)31(26,27)20-14-9-11(18(23)29-2)3-5-13(14)19/h3-6,9-10,20H,7-8H2,1-2H3

InChI Key

PMMTXPWNRNWVOG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10480685

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.93

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

1.707

Distribution Coefficient, logD

0.459

Water Solubility, LogSw

-2.98

Polar Surface Area

114.411

Acid Dissociation Constant (pKa)

6.18

Base Dissociation Constant (pKb)

-13.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

D470-0297 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D470-0297 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D470-0297?
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What is the minimum amount of D470-0297 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D470-0297
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D470-0297
  • 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 D470-0297 available by request