C241-2081 Screening compound: N-[(2-chlorophenyl)methyl]-3-{1-[(4-fluorophenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}propanamide

C241-2081 Screening compound: N-[(2-chlorophenyl)methyl]-3-{1-[(4-fluorophenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}propanamide
C241-2081 Screening compound: N-[(2-chlorophenyl)methyl]-3-{1-[(4-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 C241-2081
N-[(2-chlorophenyl)methyl]-3-{1-[(4-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

C241-2081

Molecular Formula

C23H19ClFN3O3S (C23 H19 ClFN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CCN(C(c(scc1)c1N1Cc(cc2)ccc2F)=O)C1=O)NCc(cccc1)c1Cl

InChI

InChI=1S/C23H19ClFN3O3S/c24-18-4-2-1-3-16(18)13-26-20(29)9-11-27-22(30)21-19(10-12-32-21)28(23(27)31)14-15-5-7-17(25)8-6-15/h1-8,10,12H,9,11,13-14H2,(H,26,29)

InChI Key

SIPXRGJUTUOBSV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14734865

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.94

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.621

Distribution Coefficient, logD

4.621

Water Solubility, LogSw

-4.64

Polar Surface Area

56.735

Acid Dissociation Constant (pKa)

12.67

Base Dissociation Constant (pKb)

-2.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

C241-2081 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer

References: we are preparing a list of scientific research reports with C241-2081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C241-2081?
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What is the minimum amount of C241-2081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C241-2081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C241-2081
  • 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 C241-2081 available by request