E793-0665 Screening compound: N-(2-chloro-4-methylphenyl)-2-{[3-(4-chlorophenyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide

E793-0665 Screening compound: N-(2-chloro-4-methylphenyl)-2-{[3-(4-chlorophenyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
E793-0665 Screening compound: N-(2-chloro-4-methylphenyl)-2-{[3-(4-chlorophenyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E793-0665
N-(2-chloro-4-methylphenyl)-2-{[3-(4-chlorophenyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide

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

E793-0665

Molecular Formula

C21H15Cl2N3O2S2 (C21 H15 Cl2 N3 O2 S2)

Compound Name

N-(2-chloro-4-methylphenyl)-2-{[3-(4-chlorophenyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide

IUPAC name

N-(2-chloro-4-methylphenyl)-2-{[3-(4-chlorophenyl)-4-oxo-3H4H-thieno[32-d]pyrimidin-2-yl]sulfanyl}acetamide

SMILES

Cc(cc1)cc(Cl)c1NC(CSC(N(c(cc1)ccc1Cl)C1=O)=Nc2c1scc2)=O

InChI

InChI=1S/C21H15Cl2N3O2S2/c1-12-2-7-16(15(23)10-12)24-18(27)11-30-21-25-17-8-9-29-19(17)20(28)26(21)14-5-3-13(22)4-6-14/h2-10H,11H2,1H3,(H,24,27)

InChI Key

VLIQFOUHJCMRLP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14919855

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.230

Distribution Coefficient, logD

5.229

Water Solubility, LogSw

-5.71

Polar Surface Area

48.629

Acid Dissociation Constant (pKa)

11.11

Base Dissociation Constant (pKb)

1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

E793-0665 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 E793-0665 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E793-0665?
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What is the minimum amount of E793-0665 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E793-0665
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E793-0665
  • 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 E793-0665 available by request