C241-2158 Screening compound: N-[2-(4-chlorophenyl)ethyl]-3-{1-[(2-fluorophenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}propanamide

C241-2158 Screening compound: N-[2-(4-chlorophenyl)ethyl]-3-{1-[(2-fluorophenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}propanamide
C241-2158 Screening compound: N-[2-(4-chlorophenyl)ethyl]-3-{1-[(2-fluorophenyl)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 C241-2158
N-[2-(4-chlorophenyl)ethyl]-3-{1-[(2-fluorophenyl)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

C241-2158

Molecular Formula

C24H21ClFN3O3S (C24 H21 ClFN3 O3 S)

Compound Name

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

SMILES

O=C(CCN(C(c(scc1)c1N1Cc(cccc2)c2F)=O)C1=O)NCCc(cc1)ccc1Cl

InChI

InChI=1S/C24H21ClFN3O3S/c25-18-7-5-16(6-8-18)9-12-27-21(30)10-13-28-23(31)22-20(11-14-33-22)29(24(28)32)15-17-3-1-2-4-19(17)26/h1-8,11,14H,9-10,12-13,15H2,(H,27,30)

InChI Key

BLKFLSDANOIFEF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05717625

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.97

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.320

Distribution Coefficient, logD

4.320

Water Solubility, LogSw

-4.69

Polar Surface Area

56.577

Acid Dissociation Constant (pKa)

14.04

Base Dissociation Constant (pKb)

-0.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

References: we are preparing a list of scientific research reports with C241-2158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C241-2158?
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What is the minimum amount of C241-2158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C241-2158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C241-2158
  • 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 C241-2158 available by request