8640-0303 Screening compound: N-benzyl-N-[2-(methylsulfanyl)-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl]amine

8640-0303 Screening compound: N-benzyl-N-[2-(methylsulfanyl)-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl]amine
8640-0303 Screening compound: N-benzyl-N-[2-(methylsulfanyl)-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8640-0303
N-benzyl-N-[2-(methylsulfanyl)-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl]amine

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

8640-0303

Molecular Formula

C17H17N3S2 (C17 H17 N3 S2)

Compound Name

N-benzyl-N-[2-(methylsulfanyl)-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl]amine

IUPAC name

N-benzyl-10-(methylsulfanyl)-7-thia-911-diazatricyclo[6.4.0.0^{26}]dodeca-1(8)2(6)911-tetraen-12-amine

SMILES

CSc1nc(NCc2ccccc2)c(c(CCC2)c2s2)c2n1

InChI

InChI=1S/C17H17N3S2/c1-21-17-19-15(18-10-11-6-3-2-4-7-11)14-12-8-5-9-13(12)22-16(14)20-17/h2-4,6-7H,5,8-10H2,1H3,(H,18,19,20)

InChI Key

UPUCQZAUNCDETE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03679373

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.47

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.819

Distribution Coefficient, logD

4.818

Water Solubility, LogSw

-4.90

Polar Surface Area

29.797

Acid Dissociation Constant (pKa)

14.95

Base Dissociation Constant (pKb)

4.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

8640-0303 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8640-0303 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8640-0303?
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What is the minimum amount of 8640-0303 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8640-0303
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8640-0303
  • 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 8640-0303 available by request