C241-1350 Screening compound: 4-{1-[(3-chlorophenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}-N-[(4-methylphenyl)methyl]butanamide

C241-1350 Screening compound: 4-{1-[(3-chlorophenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}-N-[(4-methylphenyl)methyl]butanamide
C241-1350 Screening compound: 4-{1-[(3-chlorophenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}-N-[(4-methylphenyl)methyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C241-1350
4-{1-[(3-chlorophenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}-N-[(4-methylphenyl)methyl]butanamide

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

C241-1350

Molecular Formula

C25H24ClN3O3S (C25 H24 ClN3 O3 S)

Compound Name

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

IUPAC name

4-{1-[(3-chlorophenyl)methyl]-24-dioxo-1H2H3H4H-thieno[32-d]pyrimidin-3-yl}-N-[(4-methylphenyl)methyl]butanamide

SMILES

Cc1ccc(CNC(CCCN(C(c(scc2)c2N2Cc3cccc(Cl)c3)=O)C2=O)=O)cc1

InChI

InChI=1S/C25H24ClN3O3S/c1-17-7-9-18(10-8-17)15-27-22(30)6-3-12-28-24(31)23-21(11-13-33-23)29(25(28)32)16-19-4-2-5-20(26)14-19/h2,4-5,7-11,13-14H,3,6,12,15-16H2,1H3,(H,27,30)

InChI Key

SMXJECCQTWJGGM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14734393

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.636

Distribution Coefficient, logD

4.636

Water Solubility, LogSw

-4.64

Polar Surface Area

56.735

Acid Dissociation Constant (pKa)

13.01

Base Dissociation Constant (pKb)

-0.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

References: we are preparing a list of scientific research reports with C241-1350 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C241-1350?
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What is the minimum amount of C241-1350 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C241-1350
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C241-1350
  • 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 C241-1350 available by request