3379-1918 Screening compound: 5,6-dimethyl-3-phenyl-2-(prop-2-en-1-ylsulfanyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one

3379-1918 Screening compound: 5,6-dimethyl-3-phenyl-2-(prop-2-en-1-ylsulfanyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one
3379-1918 Screening compound: 5,6-dimethyl-3-phenyl-2-(prop-2-en-1-ylsulfanyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3379-1918
5,6-dimethyl-3-phenyl-2-(prop-2-en-1-ylsulfanyl)-3H,4H-thieno[2,3-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

3379-1918

Molecular Formula

C17H16N2OS2 (C17 H16 N2 OS2)

Compound Name

5,6-dimethyl-3-phenyl-2-(prop-2-en-1-ylsulfanyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one

IUPAC name

56-dimethyl-3-phenyl-2-(prop-2-en-1-ylsulfanyl)-3H4H-thieno[23-d]pyrimidin-4-one

SMILES

Cc1c(C)sc(N=C(N2c3ccccc3)SCC=C)c1C2=O

InChI

InChI=1S/C17H16N2OS2/c1-4-10-21-17-18-15-14(11(2)12(3)22-15)16(20)19(17)13-8-6-5-7-9-13/h4-9H,1,10H2,2-3H3

InChI Key

NHZFITKWLRFXDW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01793552

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.282

Distribution Coefficient, logD

4.282

Water Solubility, LogSw

-4.40

Polar Surface Area

25.333

Acid Dissociation Constant (pKa)

27.76

Base Dissociation Constant (pKb)

2.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

3379-1918 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3379-1918 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3379-1918?
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What is the minimum amount of 3379-1918 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3379-1918
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3379-1918
  • 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 3379-1918 available by request