D473-1238 Screening compound: ethyl 4-{[4-(4,4-dimethyl-1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzoyl]amino}benzoate

D473-1238 Screening compound: ethyl 4-{[4-(4,4-dimethyl-1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzoyl]amino}benzoate
D473-1238 Screening compound: ethyl 4-{[4-(4,4-dimethyl-1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzoyl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D473-1238
ethyl 4-{[4-(4,4-dimethyl-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

D473-1238

Molecular Formula

C21H22N2O6S (C21 H22 N2 O6 S)

Compound Name

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

IUPAC name

ethyl 4-[4-(44-dimethyl-113-trioxo-1lambda62-thiazolidin-2-yl)benzamido]benzoate

SMILES

CCOC(c(cc1)ccc1NC(c(cc1)ccc1N(C(C(C)(C)C1)=O)S1(=O)=O)=O)=O

InChI

InChI=1S/C21H22N2O6S/c1-4-29-19(25)15-5-9-16(10-6-15)22-18(24)14-7-11-17(12-8-14)23-20(26)21(2,3)13-30(23,27)28/h5-12H,4,13H2,1-3H3,(H,22,24)

InChI Key

JQRCHTDROBZWTA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10089671

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.48

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

3.215

Distribution Coefficient, logD

3.210

Water Solubility, LogSw

-3.36

Polar Surface Area

89.223

Acid Dissociation Constant (pKa)

9.32

Base Dissociation Constant (pKb)

-3.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

D473-1238 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D473-1238 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D473-1238?
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What is the minimum amount of D473-1238 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D473-1238
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D473-1238
  • 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 D473-1238 available by request