C241-1933 Screening compound: N-benzyl-2-[4-(1-{[(2-methoxyphenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)phenyl]acetamide

C241-1933 Screening compound: N-benzyl-2-[4-(1-{[(2-methoxyphenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)phenyl]acetamide
C241-1933 Screening compound: N-benzyl-2-[4-(1-{[(2-methoxyphenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C241-1933
N-benzyl-2-[4-(1-{[(2-methoxyphenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)phenyl]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

C241-1933

Molecular Formula

C30H26N4O5S (C30 H26 N4 O5 S)

Compound Name

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

IUPAC name

N-benzyl-2-[4-(1-{[(2-methoxyphenyl)carbamoyl]methyl}-24-dioxo-1H2H3H4H-thieno[32-d]pyrimidin-3-yl)phenyl]acetamide

SMILES

COc(cccc1)c1NC(CN(c1c(C(N2c3ccc(CC(NCc4ccccc4)=O)cc3)=O)scc1)C2=O)=O

InChI

InChI=1S/C30H26N4O5S/c1-39-25-10-6-5-9-23(25)32-27(36)19-33-24-15-16-40-28(24)29(37)34(30(33)38)22-13-11-20(12-14-22)17-26(35)31-18-21-7-3-2-4-8-21/h2-16H,17-19H2,1H3,(H,31,35)(H,32,36)

InChI Key

KHLFAPPYMDEBNT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14734753

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

554.63

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.452

Distribution Coefficient, logD

3.452

Water Solubility, LogSw

-3.84

Polar Surface Area

85.956

Acid Dissociation Constant (pKa)

11.46

Base Dissociation Constant (pKb)

2.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.33

C241-1933 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C241-1933 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C241-1933?
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What is the minimum amount of C241-1933 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C241-1933
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C241-1933
  • 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 C241-1933 available by request