C241-1670 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(1-{[(3-chlorophenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)hexanamide

C241-1670 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(1-{[(3-chlorophenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)hexanamide
C241-1670 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(1-{[(3-chlorophenyl)carbamoyl]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 C241-1670
N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(1-{[(3-chlorophenyl)carbamoyl]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

C241-1670

Molecular Formula

C28H27ClN4O6S (C28 H27 ClN4 O6 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(1-{[(3-chlorophenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)hexanamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-6-(1-{[(3-chlorophenyl)carbamoyl]methyl}-24-dioxo-1H2H3H4H-thieno[32-d]pyrimidin-3-yl)hexanamide

SMILES

O=C(CCCCCN(C(c(scc1)c1N1CC(Nc2cccc(Cl)c2)=O)=O)C1=O)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C28H27ClN4O6S/c29-19-5-4-6-20(14-19)31-25(35)16-33-21-10-12-40-26(21)27(36)32(28(33)37)11-3-1-2-7-24(34)30-15-18-8-9-22-23(13-18)39-17-38-22/h4-6,8-10,12-14H,1-3,7,11,15-17H2,(H,30,34)(H,31,35)

InChI Key

WSKMNDAKLBHAKO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14734623

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

583.06

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.640

Distribution Coefficient, logD

4.640

Water Solubility, LogSw

-4.70

Polar Surface Area

97.000

Acid Dissociation Constant (pKa)

10.94

Base Dissociation Constant (pKb)

-0.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

C241-1670 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Human Proteases Annotated Library (2868 compounds)

Human Receptors Annotated Library (5376 compounds)

MCL1 Targeted Library (12200 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
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with C241-1670 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C241-1670?
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What is the minimum amount of C241-1670 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C241-1670
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C241-1670
  • 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 C241-1670 available by request