C242-1082 Screening compound: 2-{3-benzyl-5,6-dimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-1-yl}-N-(2-chloro-4-methylphenyl)acetamide

C242-1082 Screening compound: 2-{3-benzyl-5,6-dimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-1-yl}-N-(2-chloro-4-methylphenyl)acetamide
C242-1082 Screening compound: 2-{3-benzyl-5,6-dimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-1-yl}-N-(2-chloro-4-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C242-1082
2-{3-benzyl-5,6-dimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-1-yl}-N-(2-chloro-4-methylphenyl)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

C242-1082

Molecular Formula

C24H22ClN3O3S (C24 H22 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-(2-chloro-4-methylphenyl)acetamide

IUPAC name

2-{3-benzyl-56-dimethyl-24-dioxo-1H2H3H4H-thieno[23-d]pyrimidin-1-yl}-N-(2-chloro-4-methylphenyl)acetamide

SMILES

Cc1c(C)sc(N(CC(Nc(ccc(C)c2)c2Cl)=O)C(N2Cc3ccccc3)=O)c1C2=O

InChI

InChI=1S/C24H22ClN3O3S/c1-14-9-10-19(18(25)11-14)26-20(29)13-28-23-21(15(2)16(3)32-23)22(30)27(24(28)31)12-17-7-5-4-6-8-17/h4-11H,12-13H2,1-3H3,(H,26,29)

InChI Key

QELAGWUWKYMIAT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14735136

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.98

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

5.429

Distribution Coefficient, logD

5.429

Water Solubility, LogSw

-6.08

Polar Surface Area

54.170

Acid Dissociation Constant (pKa)

10.92

Base Dissociation Constant (pKb)

-0.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

References: we are preparing a list of scientific research reports with C242-1082 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C242-1082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C242-1082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C242-1082
  • 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 C242-1082 available by request