D473-1380 Screening compound: ethyl 4-{[2-chloro-4-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzoyl]amino}benzoate

D473-1380 Screening compound: ethyl 4-{[2-chloro-4-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzoyl]amino}benzoate
D473-1380 Screening compound: ethyl 4-{[2-chloro-4-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzoyl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D473-1380
ethyl 4-{[2-chloro-4-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzoyl]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

D473-1380

Molecular Formula

C19H17ClN2O6S (C19 H17 ClN2 O6 S)

Compound Name

ethyl 4-{[2-chloro-4-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzoyl]amino}benzoate

IUPAC name

ethyl 4-[2-chloro-4-(113-trioxo-1lambda62-thiazolidin-2-yl)benzamido]benzoate

SMILES

CCOC(c(cc1)ccc1NC(c(ccc(N(C(CC1)=O)S1(=O)=O)c1)c1Cl)=O)=O

InChI

InChI=1S/C19H17ClN2O6S/c1-2-28-19(25)12-3-5-13(6-4-12)21-18(24)15-8-7-14(11-16(15)20)22-17(23)9-10-29(22,26)27/h3-8,11H,2,9-10H2,1H3,(H,21,24)

InChI Key

MTMHWTWMQRYNRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10089795

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.87

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.521

Distribution Coefficient, logD

2.478

Water Solubility, LogSw

-3.81

Polar Surface Area

89.500

Acid Dissociation Constant (pKa)

8.38

Base Dissociation Constant (pKb)

-3.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

D473-1380 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Mechanism of action:
  • PPI modulators
Targets:
  • Others

References: we are preparing a list of scientific research reports with D473-1380 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D473-1380?
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What is the minimum amount of D473-1380 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D473-1380
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D473-1380
  • 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 D473-1380 available by request