C241-1364 Screening compound: N-[(4-methylphenyl)methyl]-4-{1-[(4-nitrophenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}butanamide

C241-1364 Screening compound: N-[(4-methylphenyl)methyl]-4-{1-[(4-nitrophenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}butanamide
C241-1364 Screening compound: N-[(4-methylphenyl)methyl]-4-{1-[(4-nitrophenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C241-1364
N-[(4-methylphenyl)methyl]-4-{1-[(4-nitrophenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}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

C241-1364

Molecular Formula

C25H24N4O5S (C25 H24 N4 O5 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(CNC(CCCN(C(c(scc2)c2N2Cc(cc3)ccc3[N+]([O-])=O)=O)C2=O)=O)cc1

InChI

InChI=1S/C25H24N4O5S/c1-17-4-6-18(7-5-17)15-26-22(30)3-2-13-27-24(31)23-21(12-14-35-23)28(25(27)32)16-19-8-10-20(11-9-19)29(33)34/h4-12,14H,2-3,13,15-16H2,1H3,(H,26,30)

InChI Key

LIBHWLOHTLOCIC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14734407

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.906

Distribution Coefficient, logD

3.906

Water Solubility, LogSw

-3.80

Polar Surface Area

90.117

Acid Dissociation Constant (pKa)

13.01

Base Dissociation Constant (pKb)

-0.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

C241-1364 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C241-1364 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C241-1364?
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What is the minimum amount of C241-1364 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C241-1364
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C241-1364
  • 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 C241-1364 available by request