C200-4449 Screening compound: 2-({3-[(2-chlorophenyl)methyl]-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-[(4-fluorophenyl)methyl]acetamide

C200-4449 Screening compound: 2-({3-[(2-chlorophenyl)methyl]-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-[(4-fluorophenyl)methyl]acetamide
C200-4449 Screening compound: 2-({3-[(2-chlorophenyl)methyl]-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-[(4-fluorophenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-4449
2-({3-[(2-chlorophenyl)methyl]-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-[(4-fluorophenyl)methyl]acetamide

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

C200-4449

Molecular Formula

C22H17ClFN3O2S2 (C22 H17 ClFN3 O2 S2)

Compound Name

2-({3-[(2-chlorophenyl)methyl]-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-[(4-fluorophenyl)methyl]acetamide

IUPAC name

2-({3-[(2-chlorophenyl)methyl]-4-oxo-3H4H-thieno[32-d]pyrimidin-2-yl}sulfanyl)-N-[(4-fluorophenyl)methyl]acetamide

SMILES

O=C(CSC(N(Cc(cccc1)c1Cl)C1=O)=Nc2c1scc2)NCc(cc1)ccc1F

InChI

InChI=1S/C22H17ClFN3O2S2/c23-17-4-2-1-3-15(17)12-27-21(29)20-18(9-10-30-20)26-22(27)31-13-19(28)25-11-14-5-7-16(24)8-6-14/h1-10H,11-13H2,(H,25,28)

InChI Key

PZTUGKDISDAKNI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14727395

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.98

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.581

Distribution Coefficient, logD

4.581

Water Solubility, LogSw

-4.58

Polar Surface Area

51.261

Acid Dissociation Constant (pKa)

13.09

Base Dissociation Constant (pKb)

-1.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

C200-4449 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Angiogenesis library (14822 compounds)

Anticancer Library (62698 compounds)

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Cancer

References: we are preparing a list of scientific research reports with C200-4449 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-4449?
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What is the minimum amount of C200-4449 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-4449
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-4449
  • 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 C200-4449 available by request