C241-1387 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{1-[(2-chlorophenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}butanamide

C241-1387 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{1-[(2-chlorophenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}butanamide
C241-1387 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{1-[(2-chlorophenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C241-1387
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{1-[(2-chlorophenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}butanamide

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

C241-1387

Molecular Formula

C25H22ClN3O5S (C25 H22 ClN3 O5 S)

Compound Name

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

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-4-{1-[(2-chlorophenyl)methyl]-24-dioxo-1H2H3H4H-thieno[32-d]pyrimidin-3-yl}butanamide

SMILES

O=C(CCCN(C(c(scc1)c1N1Cc(cccc2)c2Cl)=O)C1=O)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C25H22ClN3O5S/c26-18-5-2-1-4-17(18)14-29-19-9-11-35-23(19)24(31)28(25(29)32)10-3-6-22(30)27-13-16-7-8-20-21(12-16)34-15-33-20/h1-2,4-5,7-9,11-12H,3,6,10,13-15H2,(H,27,30)

InChI Key

RCIHILAYUKQPHL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14734429

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

511.99

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.954

Distribution Coefficient, logD

3.954

Water Solubility, LogSw

-4.27

Polar Surface Area

73.851

Acid Dissociation Constant (pKa)

14.52

Base Dissociation Constant (pKb)

6.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

C241-1387 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C241-1387 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C241-1387?
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What is the minimum amount of C241-1387 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C241-1387
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C241-1387
  • 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 C241-1387 available by request