E793-3695 Screening compound: 4-{[2-({[(5-chloro-2-methoxyphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl]methyl}cyclohexane-1-carboxylic acid

E793-3695 Screening compound: 4-{[2-({[(5-chloro-2-methoxyphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl]methyl}cyclohexane-1-carboxylic acid
E793-3695 Screening compound: 4-{[2-({[(5-chloro-2-methoxyphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl]methyl}cyclohexane-1-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound E793-3695
4-{[2-({[(5-chloro-2-methoxyphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl]methyl}cyclohexane-1-carboxylic acid

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

E793-3695

Molecular Formula

C23H24ClN3O5S2 (C23 H24 ClN3 O5 S2)

Compound Name

4-{[2-({[(5-chloro-2-methoxyphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl]methyl}cyclohexane-1-carboxylic acid

IUPAC name

4-{[2-({[(5-chloro-2-methoxyphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3H4H-thieno[32-d]pyrimidin-3-yl]methyl}cyclohexane-1-carboxylic acid

SMILES

COc(ccc(Cl)c1)c1NC(CSC(N(CC(CC1)CCC1C(O)=O)C1=O)=Nc2c1scc2)=O

InChI

InChI=1S/C23H24ClN3O5S2/c1-32-18-7-6-15(24)10-17(18)25-19(28)12-34-23-26-16-8-9-33-20(16)21(29)27(23)11-13-2-4-14(5-3-13)22(30)31/h6-10,13-14H,2-5,11-12H2,1H3,(H,25,28)(H,30,31)

InChI Key

VZBAATIMISDUPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14919888

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.05

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.882

Distribution Coefficient, logD

1.321

Water Solubility, LogSw

-4.14

Polar Surface Area

85.472

Acid Dissociation Constant (pKa)

4.84

Base Dissociation Constant (pKb)

-0.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

E793-3695 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with E793-3695 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E793-3695?
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What is the minimum amount of E793-3695 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E793-3695
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E793-3695
  • 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 E793-3695 available by request