D390-0881 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(4-chlorophenyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one

D390-0881 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(4-chlorophenyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one
D390-0881 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(4-chlorophenyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D390-0881
3-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(4-chlorophenyl)-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

D390-0881

Molecular Formula

C20H13ClN2O3S (C20 H13 ClN2 O3 S)

Compound Name

3-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(4-chlorophenyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one

IUPAC name

3-[(2H-13-benzodioxol-5-yl)methyl]-5-(4-chlorophenyl)-3H4H-thieno[23-d]pyrimidin-4-one

SMILES

O=C1N(Cc(cc2)cc3c2OCO3)C=Nc2c1c(-c(cc1)ccc1Cl)cs2

InChI

InChI=1S/C20H13ClN2O3S/c21-14-4-2-13(3-5-14)15-9-27-19-18(15)20(24)23(10-22-19)8-12-1-6-16-17(7-12)26-11-25-16/h1-7,9-10H,8,11H2

InChI Key

YNPQVOXYZASTQZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12914931

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.85

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.322

Distribution Coefficient, logD

4.322

Water Solubility, LogSw

-4.92

Polar Surface Area

43.085

Acid Dissociation Constant (pKa)

30.72

Base Dissociation Constant (pKb)

0.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

D390-0881 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anti-Inflammatory Library (24602 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system

References: we are preparing a list of scientific research reports with D390-0881 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D390-0881?
Check Price and Availability of D390-0881, 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 D390-0881 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D390-0881
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D390-0881
  • 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 D390-0881 available by request