C241-2001 Screening compound: 6-(1-{[(3-ethylphenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)-N-[(4-fluorophenyl)methyl]hexanamide

C241-2001 Screening compound: 6-(1-{[(3-ethylphenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)-N-[(4-fluorophenyl)methyl]hexanamide
C241-2001 Screening compound: 6-(1-{[(3-ethylphenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)-N-[(4-fluorophenyl)methyl]hexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C241-2001
6-(1-{[(3-ethylphenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)-N-[(4-fluorophenyl)methyl]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

C241-2001

Molecular Formula

C29H31FN4O4S (C29 H31 FN4 O4 S)

Compound Name

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

IUPAC name

6-(1-{[(3-ethylphenyl)carbamoyl]methyl}-24-dioxo-1H2H3H4H-thieno[32-d]pyrimidin-3-yl)-N-[(4-fluorophenyl)methyl]hexanamide

SMILES

CCc1cccc(NC(CN(c2c(C(N3CCCCCC(NCc(cc4)ccc4F)=O)=O)scc2)C3=O)=O)c1

InChI

InChI=1S/C29H31FN4O4S/c1-2-20-7-6-8-23(17-20)32-26(36)19-34-24-14-16-39-27(24)28(37)33(29(34)38)15-5-3-4-9-25(35)31-18-21-10-12-22(30)13-11-21/h6-8,10-14,16-17H,2-5,9,15,18-19H2,1H3,(H,31,35)(H,32,36)

InChI Key

NANSPWHDHIVLQJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14734809

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

550.65

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.793

Distribution Coefficient, logD

4.793

Water Solubility, LogSw

-4.46

Polar Surface Area

79.884

Acid Dissociation Constant (pKa)

12.59

Base Dissociation Constant (pKb)

0.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.00

C241-2001 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 C241-2001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C241-2001?
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What is the minimum amount of C241-2001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C241-2001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C241-2001
  • 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 C241-2001 available by request