C241-1576 Screening compound: N-[(2-chlorophenyl)methyl]-6-{1-[(diethylcarbamoyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}hexanamide

C241-1576 Screening compound: N-[(2-chlorophenyl)methyl]-6-{1-[(diethylcarbamoyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}hexanamide
C241-1576 Screening compound: N-[(2-chlorophenyl)methyl]-6-{1-[(diethylcarbamoyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}hexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C241-1576
N-[(2-chlorophenyl)methyl]-6-{1-[(diethylcarbamoyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}hexanamide

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

C241-1576

Molecular Formula

C25H31ClN4O4S (C25 H31 ClN4 O4 S)

Compound Name

N-[(2-chlorophenyl)methyl]-6-{1-[(diethylcarbamoyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}hexanamide

IUPAC name

N-[(2-chlorophenyl)methyl]-6-{1-[(diethylcarbamoyl)methyl]-24-dioxo-1H2H3H4H-thieno[32-d]pyrimidin-3-yl}hexanamide

SMILES

CCN(CC)C(CN(c1c(C(N2CCCCCC(NCc(cccc3)c3Cl)=O)=O)scc1)C2=O)=O

InChI

InChI=1S/C25H31ClN4O4S/c1-3-28(4-2)22(32)17-30-20-13-15-35-23(20)24(33)29(25(30)34)14-9-5-6-12-21(31)27-16-18-10-7-8-11-19(18)26/h7-8,10-11,13,15H,3-6,9,12,14,16-17H2,1-2H3,(H,27,31)

InChI Key

NYUPJQJVDUKVBA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14734574

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

519.06

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.564

Distribution Coefficient, logD

3.564

Water Solubility, LogSw

-3.67

Polar Surface Area

72.411

Acid Dissociation Constant (pKa)

13.01

Base Dissociation Constant (pKb)

7.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

C241-1576 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C241-1576 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C241-1576?
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What is the minimum amount of C241-1576 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C241-1576
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C241-1576
  • 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 C241-1576 available by request