C241-1213 Screening compound: N-(3-chlorophenyl)-2-[3-(3,5-dimethylphenyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-1-yl]acetamide

C241-1213 Screening compound: N-(3-chlorophenyl)-2-[3-(3,5-dimethylphenyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-1-yl]acetamide
C241-1213 Screening compound: N-(3-chlorophenyl)-2-[3-(3,5-dimethylphenyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-1-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C241-1213
N-(3-chlorophenyl)-2-[3-(3,5-dimethylphenyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-1-yl]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

C241-1213

Molecular Formula

C22H18ClN3O3S (C22 H18 ClN3 O3 S)

Compound Name

N-(3-chlorophenyl)-2-[3-(3,5-dimethylphenyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-1-yl]acetamide

IUPAC name

N-(3-chlorophenyl)-2-[3-(35-dimethylphenyl)-24-dioxo-1H2H3H4H-thieno[32-d]pyrimidin-1-yl]acetamide

SMILES

Cc1cc(N(C(c(scc2)c2N2CC(Nc3cccc(Cl)c3)=O)=O)C2=O)cc(C)c1

InChI

InChI=1S/C22H18ClN3O3S/c1-13-8-14(2)10-17(9-13)26-21(28)20-18(6-7-30-20)25(22(26)29)12-19(27)24-16-5-3-4-15(23)11-16/h3-11H,12H2,1-2H3,(H,24,27)

InChI Key

QMEMMSQWRVDMRG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14734274

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.92

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.105

Distribution Coefficient, logD

5.105

Water Solubility, LogSw

-5.25

Polar Surface Area

54.823

Acid Dissociation Constant (pKa)

11.03

Base Dissociation Constant (pKb)

0.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

References: we are preparing a list of scientific research reports with C241-1213 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C241-1213?
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What is the minimum amount of C241-1213 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C241-1213
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C241-1213
  • 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 C241-1213 available by request