C241-1323 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{1-[2-(3,4-dichlorophenyl)-2-oxoethyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}propanamide

C241-1323 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{1-[2-(3,4-dichlorophenyl)-2-oxoethyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}propanamide
C241-1323 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{1-[2-(3,4-dichlorophenyl)-2-oxoethyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C241-1323
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{1-[2-(3,4-dichlorophenyl)-2-oxoethyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}propanamide

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

C241-1323

Molecular Formula

C25H19Cl2N3O6S (C25 H19 Cl2 N3 O6 S)

Compound Name

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

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-3-{1-[2-(34-dichlorophenyl)-2-oxoethyl]-24-dioxo-1H2H3H4H-thieno[32-d]pyrimidin-3-yl}propanamide

SMILES

O=C(CN(c1c(C(N2CCC(NCc(cc3)cc4c3OCO4)=O)=O)scc1)C2=O)c(cc1)cc(Cl)c1Cl

InChI

InChI=1S/C25H19Cl2N3O6S/c26-16-3-2-15(10-17(16)27)19(31)12-30-18-6-8-37-23(18)24(33)29(25(30)34)7-5-22(32)28-11-14-1-4-20-21(9-14)36-13-35-20/h1-4,6,8-10H,5,7,11-13H2,(H,28,32)

InChI Key

BTUNEZOHQRLSIV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14734369

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

560.41

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.592

Distribution Coefficient, logD

4.592

Water Solubility, LogSw

-4.75

Polar Surface Area

87.097

Acid Dissociation Constant (pKa)

14.18

Base Dissociation Constant (pKb)

-1.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C241-1323 in Drug Discovery

Included in Screening Libraries

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

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with C241-1323 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C241-1323?
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What is the minimum amount of C241-1323 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C241-1323
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C241-1323
  • 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 C241-1323 available by request