C241-1738 Screening compound: 2-{1-[(4-nitrophenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}-N-(2-phenylethyl)acetamide

C241-1738 Screening compound: 2-{1-[(4-nitrophenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}-N-(2-phenylethyl)acetamide
C241-1738 Screening compound: 2-{1-[(4-nitrophenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}-N-(2-phenylethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C241-1738
2-{1-[(4-nitrophenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}-N-(2-phenylethyl)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

C241-1738

Molecular Formula

C23H20N4O5S (C23 H20 N4 O5 S)

Compound Name

2-{1-[(4-nitrophenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}-N-(2-phenylethyl)acetamide

IUPAC name

2-{1-[(4-nitrophenyl)methyl]-24-dioxo-1H2H3H4H-thieno[32-d]pyrimidin-3-yl}-N-(2-phenylethyl)acetamide

SMILES

[O-][N+](c1ccc(CN(c2c(C(N3CC(NCCc4ccccc4)=O)=O)scc2)C3=O)cc1)=O

InChI

InChI=1S/C23H20N4O5S/c28-20(24-12-10-16-4-2-1-3-5-16)15-26-22(29)21-19(11-13-33-21)25(23(26)30)14-17-6-8-18(9-7-17)27(31)32/h1-9,11,13H,10,12,14-15H2,(H,24,28)

InChI Key

BQLHCWOSXJQJOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08540696

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.297

Distribution Coefficient, logD

3.297

Water Solubility, LogSw

-3.56

Polar Surface Area

89.980

Acid Dissociation Constant (pKa)

14.99

Base Dissociation Constant (pKb)

0.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

C241-1738 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C241-1738 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C241-1738?
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What is the minimum amount of C241-1738 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C241-1738
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C241-1738
  • 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 C241-1738 available by request