C241-2180 Screening compound: N-[2-(4-chlorophenyl)ethyl]-3-{1-[(3-nitrophenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}propanamide

C241-2180 Screening compound: N-[2-(4-chlorophenyl)ethyl]-3-{1-[(3-nitrophenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}propanamide
C241-2180 Screening compound: N-[2-(4-chlorophenyl)ethyl]-3-{1-[(3-nitrophenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C241-2180
N-[2-(4-chlorophenyl)ethyl]-3-{1-[(3-nitrophenyl)methyl]-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

C241-2180

Molecular Formula

C24H21ClN4O5S (C24 H21 ClN4 O5 S)

Compound Name

N-[2-(4-chlorophenyl)ethyl]-3-{1-[(3-nitrophenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}propanamide

IUPAC name

N-[2-(4-chlorophenyl)ethyl]-3-{1-[(3-nitrophenyl)methyl]-24-dioxo-1H2H3H4H-thieno[32-d]pyrimidin-3-yl}propanamide

SMILES

[O-][N+](c1cccc(CN(c2c(C(N3CCC(NCCc(cc4)ccc4Cl)=O)=O)scc2)C3=O)c1)=O

InChI

InChI=1S/C24H21ClN4O5S/c25-18-6-4-16(5-7-18)8-11-26-21(30)9-12-27-23(31)22-20(10-13-35-22)28(24(27)32)15-17-2-1-3-19(14-17)29(33)34/h1-7,10,13-14H,8-9,11-12,15H2,(H,26,30)

InChI Key

PRDNUBVMQBATSY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14734927

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.97

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.042

Distribution Coefficient, logD

4.042

Water Solubility, LogSw

-4.54

Polar Surface Area

89.958

Acid Dissociation Constant (pKa)

14.04

Base Dissociation Constant (pKb)

-0.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

C241-2180 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 C241-2180 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C241-2180?
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What is the minimum amount of C241-2180 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C241-2180
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C241-2180
  • 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 C241-2180 available by request