E793-3983 Screening compound: 3-[2-(4-chlorophenyl)ethyl]-2-{[2-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-3H,4H-thieno[3,2-d]pyrimidin-4-one

E793-3983 Screening compound: 3-[2-(4-chlorophenyl)ethyl]-2-{[2-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-3H,4H-thieno[3,2-d]pyrimidin-4-one
E793-3983 Screening compound: 3-[2-(4-chlorophenyl)ethyl]-2-{[2-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-3H,4H-thieno[3,2-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E793-3983
3-[2-(4-chlorophenyl)ethyl]-2-{[2-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-3H,4H-thieno[3,2-d]pyrimidin-4-one

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

E793-3983

Molecular Formula

C25H22ClN3O3S2 (C25 H22 ClN3 O3 S2)

Compound Name

3-[2-(4-chlorophenyl)ethyl]-2-{[2-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-3H,4H-thieno[3,2-d]pyrimidin-4-one

IUPAC name

3-[2-(4-chlorophenyl)ethyl]-2-{[2-(6-methyl-34-dihydro-2H-14-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-3H4H-thieno[32-d]pyrimidin-4-one

SMILES

Cc(cc1)cc2c1OCCN2C(CSC(N(CCc(cc1)ccc1Cl)C1=O)=Nc2c1scc2)=O

InChI

InChI=1S/C25H22ClN3O3S2/c1-16-2-7-21-20(14-16)28(11-12-32-21)22(30)15-34-25-27-19-9-13-33-23(19)24(31)29(25)10-8-17-3-5-18(26)6-4-17/h2-7,9,13-14H,8,10-12,15H2,1H3

InChI Key

XADHMIIBQPGAKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14919894

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.05

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.328

Distribution Coefficient, logD

5.328

Water Solubility, LogSw

-5.77

Polar Surface Area

49.776

Acid Dissociation Constant (pKa)

25.90

Base Dissociation Constant (pKb)

-0.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

E793-3983 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E793-3983 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E793-3983?
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What is the minimum amount of E793-3983 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E793-3983
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E793-3983
  • 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 E793-3983 available by request