C242-1076 Screening compound: 2-{3-benzyl-5,6-dimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-1-yl}-N-(3-chlorophenyl)acetamide

C242-1076 Screening compound: 2-{3-benzyl-5,6-dimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-1-yl}-N-(3-chlorophenyl)acetamide
C242-1076 Screening compound: 2-{3-benzyl-5,6-dimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-1-yl}-N-(3-chlorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C242-1076
2-{3-benzyl-5,6-dimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-1-yl}-N-(3-chlorophenyl)acetamide

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

C242-1076

Molecular Formula

C23H20ClN3O3S (C23 H20 ClN3 O3 S)

Compound Name

2-{3-benzyl-5,6-dimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-1-yl}-N-(3-chlorophenyl)acetamide

IUPAC name

n/a

SMILES

Cc1c(C)sc(N(CC(Nc2cccc(Cl)c2)=O)C(N2Cc3ccccc3)=O)c1C2=O

InChI

InChI=1S/C23H20ClN3O3S/c1-14-15(2)31-22-20(14)21(29)26(12-16-7-4-3-5-8-16)23(30)27(22)13-19(28)25-18-10-6-9-17(24)11-18/h3-11H,12-13H2,1-2H3,(H,25,28)

InChI Key

ZINUTZPSQCEXOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14735130

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.95

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.459

Distribution Coefficient, logD

5.459

Water Solubility, LogSw

-5.94

Polar Surface Area

54.868

Acid Dissociation Constant (pKa)

11.04

Base Dissociation Constant (pKb)

-0.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

C242-1076 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C242-1076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C242-1076?
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What is the minimum amount of C242-1076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C242-1076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C242-1076
  • 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 C242-1076 available by request