3325-0037 Screening compound: 5,6-dimethyl-3-phenyl-2-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-3H,4H-thieno[2,3-d]pyrimidin-4-one

3325-0037 Screening compound: 5,6-dimethyl-3-phenyl-2-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-3H,4H-thieno[2,3-d]pyrimidin-4-one
3325-0037 Screening compound: 5,6-dimethyl-3-phenyl-2-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-3H,4H-thieno[2,3-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3325-0037
5,6-dimethyl-3-phenyl-2-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-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

3325-0037

Molecular Formula

C23H20N2OS2 (C23 H20 N2 OS2)

Compound Name

5,6-dimethyl-3-phenyl-2-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-3H,4H-thieno[2,3-d]pyrimidin-4-one

IUPAC name

56-dimethyl-3-phenyl-2-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-3H4H-thieno[23-d]pyrimidin-4-one

SMILES

Cc1c(C)sc(N=C(N2c3ccccc3)SC/C=C/c3ccccc3)c1C2=O

InChI

InChI=1S/C23H20N2OS2/c1-16-17(2)28-21-20(16)22(26)25(19-13-7-4-8-14-19)23(24-21)27-15-9-12-18-10-5-3-6-11-18/h3-14H,15H2,1-2H3

InChI Key

VIOLLDRLNMZCQT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01953540

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.56

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.825

Distribution Coefficient, logD

5.825

Water Solubility, LogSw

-5.65

Polar Surface Area

25.062

Acid Dissociation Constant (pKa)

27.76

Base Dissociation Constant (pKb)

1.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

3325-0037 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 3325-0037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3325-0037?
Check Price and Availability of 3325-0037, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3325-0037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3325-0037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3325-0037
  • 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 3325-0037 available by request