C241-1292 Screening compound: N-benzyl-3-(1-{[(3-chlorophenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)propanamide

C241-1292 Screening compound: N-benzyl-3-(1-{[(3-chlorophenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)propanamide
C241-1292 Screening compound: N-benzyl-3-(1-{[(3-chlorophenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C241-1292
N-benzyl-3-(1-{[(3-chlorophenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)propanamide

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

C241-1292

Molecular Formula

C24H21ClN4O4S (C24 H21 ClN4 O4 S)

Compound Name

N-benzyl-3-(1-{[(3-chlorophenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)propanamide

IUPAC name

N-benzyl-3-(1-{[(3-chlorophenyl)carbamoyl]methyl}-24-dioxo-1H2H3H4H-thieno[32-d]pyrimidin-3-yl)propanamide

SMILES

O=C(CCN(C(c(scc1)c1N1CC(Nc2cccc(Cl)c2)=O)=O)C1=O)NCc1ccccc1

InChI

InChI=1S/C24H21ClN4O4S/c25-17-7-4-8-18(13-17)27-21(31)15-29-19-10-12-34-22(19)23(32)28(24(29)33)11-9-20(30)26-14-16-5-2-1-3-6-16/h1-8,10,12-13H,9,11,14-15H2,(H,26,30)(H,27,31)

InChI Key

XQYGVWMJOCKHJX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14734340

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.97

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.970

Distribution Coefficient, logD

3.970

Water Solubility, LogSw

-4.33

Polar Surface Area

79.884

Acid Dissociation Constant (pKa)

10.94

Base Dissociation Constant (pKb)

-0.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

C241-1292 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C241-1292 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C241-1292?
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What is the minimum amount of C241-1292 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C241-1292
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C241-1292
  • 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 C241-1292 available by request