C241-1296 Screening compound: N-benzyl-3-(2,4-dioxo-1-{[(2,4,6-trimethylphenyl)carbamoyl]methyl}-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)propanamide

C241-1296 Screening compound: N-benzyl-3-(2,4-dioxo-1-{[(2,4,6-trimethylphenyl)carbamoyl]methyl}-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)propanamide
C241-1296 Screening compound: N-benzyl-3-(2,4-dioxo-1-{[(2,4,6-trimethylphenyl)carbamoyl]methyl}-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C241-1296
N-benzyl-3-(2,4-dioxo-1-{[(2,4,6-trimethylphenyl)carbamoyl]methyl}-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

C241-1296

Molecular Formula

C27H28N4O4S (C27 H28 N4 O4 S)

Compound Name

N-benzyl-3-(2,4-dioxo-1-{[(2,4,6-trimethylphenyl)carbamoyl]methyl}-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)propanamide

IUPAC name

N-benzyl-3-(24-dioxo-1-{[(246-trimethylphenyl)carbamoyl]methyl}-1H2H3H4H-thieno[32-d]pyrimidin-3-yl)propanamide

SMILES

Cc(cc1C)cc(C)c1NC(CN(c1c(C(N2CCC(NCc3ccccc3)=O)=O)scc1)C2=O)=O

InChI

InChI=1S/C27H28N4O4S/c1-17-13-18(2)24(19(3)14-17)29-23(33)16-31-21-10-12-36-25(21)26(34)30(27(31)35)11-9-22(32)28-15-20-7-5-4-6-8-20/h4-8,10,12-14H,9,11,15-16H2,1-3H3,(H,28,32)(H,29,33)

InChI Key

CLMXPXMJUSDYDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14734344

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.61

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

3.729

Distribution Coefficient, logD

3.729

Water Solubility, LogSw

-3.87

Polar Surface Area

78.489

Acid Dissociation Constant (pKa)

12.22

Base Dissociation Constant (pKb)

1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

C241-1296 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 C241-1296 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C241-1296?
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What is the minimum amount of C241-1296 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C241-1296
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C241-1296
  • 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 C241-1296 available by request