7954-4283 Screening compound: 6-(4-chlorobenzoyl)-4-(methylsulfanyl)thieno[2,3-d]pyrimidine-2,5-diamine

7954-4283 Screening compound: 6-(4-chlorobenzoyl)-4-(methylsulfanyl)thieno[2,3-d]pyrimidine-2,5-diamine
7954-4283 Screening compound: 6-(4-chlorobenzoyl)-4-(methylsulfanyl)thieno[2,3-d]pyrimidine-2,5-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 7954-4283
6-(4-chlorobenzoyl)-4-(methylsulfanyl)thieno[2,3-d]pyrimidine-2,5-diamine

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

7954-4283

Molecular Formula

C14H11ClN4OS2 (C14 H11 ClN4 OS2)

Compound Name

6-(4-chlorobenzoyl)-4-(methylsulfanyl)thieno[2,3-d]pyrimidine-2,5-diamine

IUPAC name

6-(4-chlorobenzoyl)-4-(methylsulfanyl)thieno[23-d]pyrimidine-25-diamine

SMILES

CSc1nc(N)nc2c1c(N)c(C(c(cc1)ccc1Cl)=O)s2

InChI

InChI=1S/C14H11ClN4OS2/c1-21-12-8-9(16)11(22-13(8)19-14(17)18-12)10(20)6-2-4-7(15)5-3-6/h2-5H,16H2,1H3,(H2,17,18,19)

InChI Key

KAKKDELJZOOIOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02060330

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.85

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.854

Distribution Coefficient, logD

3.853

Water Solubility, LogSw

-4.52

Polar Surface Area

73.365

Acid Dissociation Constant (pKa)

18.11

Base Dissociation Constant (pKb)

5.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

7954-4283 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 7954-4283 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7954-4283?
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What is the minimum amount of 7954-4283 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7954-4283
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7954-4283
  • 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 7954-4283 available by request