C241-1959 Screening compound: 4-[(1-{[(2,6-dimethylphenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)methyl]-N-[(furan-2-yl)methyl]benzamide

C241-1959 Screening compound: 4-[(1-{[(2,6-dimethylphenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)methyl]-N-[(furan-2-yl)methyl]benzamide
C241-1959 Screening compound: 4-[(1-{[(2,6-dimethylphenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)methyl]-N-[(furan-2-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C241-1959
4-[(1-{[(2,6-dimethylphenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)methyl]-N-[(furan-2-yl)methyl]benzamide

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

C241-1959

Molecular Formula

C29H26N4O5S (C29 H26 N4 O5 S)

Compound Name

4-[(1-{[(2,6-dimethylphenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)methyl]-N-[(furan-2-yl)methyl]benzamide

IUPAC name

4-[(1-{[(26-dimethylphenyl)carbamoyl]methyl}-24-dioxo-1H2H3H4H-thieno[32-d]pyrimidin-3-yl)methyl]-N-[(furan-2-yl)methyl]benzamide

SMILES

Cc1cccc(C)c1NC(CN(c1c(C(N2Cc(cc3)ccc3C(NCc3ccco3)=O)=O)scc1)C2=O)=O

InChI

InChI=1S/C29H26N4O5S/c1-18-5-3-6-19(2)25(18)31-24(34)17-32-23-12-14-39-26(23)28(36)33(29(32)37)16-20-8-10-21(11-9-20)27(35)30-15-22-7-4-13-38-22/h3-14H,15-17H2,1-2H3,(H,30,35)(H,31,34)

InChI Key

GJZLUHFZTALGON-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14734774

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

542.62

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.451

Distribution Coefficient, logD

4.451

Water Solubility, LogSw

-4.22

Polar Surface Area

86.201

Acid Dissociation Constant (pKa)

11.42

Base Dissociation Constant (pKb)

0.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.20

C241-1959 in Drug Discovery

Included in Screening Libraries

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C241-1959 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C241-1959?
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What is the minimum amount of C241-1959 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C241-1959
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C241-1959
  • 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 C241-1959 available by request