C241-1666 Screening compound: 6-(1-{[(3-chlorophenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)-N-[(2-chlorophenyl)methyl]hexanamide

C241-1666 Screening compound: 6-(1-{[(3-chlorophenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)-N-[(2-chlorophenyl)methyl]hexanamide
C241-1666 Screening compound: 6-(1-{[(3-chlorophenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)-N-[(2-chlorophenyl)methyl]hexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C241-1666
6-(1-{[(3-chlorophenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)-N-[(2-chlorophenyl)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

C241-1666

Molecular Formula

C27H26Cl2N4O4S (C27 H26 Cl2 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CCCCCN(C(c(scc1)c1N1CC(Nc2cc(Cl)ccc2)=O)=O)C1=O)NCc(cccc1)c1Cl

InChI

InChI=1S/C27H26Cl2N4O4S/c28-19-8-6-9-20(15-19)31-24(35)17-33-22-12-14-38-25(22)26(36)32(27(33)37)13-5-1-2-11-23(34)30-16-18-7-3-4-10-21(18)29/h3-4,6-10,12,14-15H,1-2,5,11,13,16-17H2,(H,30,34)(H,31,35)

InChI Key

ORFUZTAJHPKUAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14734620

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

573.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.509

Distribution Coefficient, logD

5.509

Water Solubility, LogSw

-5.96

Polar Surface Area

79.884

Acid Dissociation Constant (pKa)

10.94

Base Dissociation Constant (pKb)

-0.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

References: we are preparing a list of scientific research reports with C241-1666 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C241-1666?
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What is the minimum amount of C241-1666 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C241-1666
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C241-1666
  • 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 C241-1666 available by request