C200-6160 Screening compound: N-(3-chloro-4-fluorophenyl)-2-{[3-(4-ethylphenyl)-5-methyl-4-oxo-7-phenyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide

C200-6160 Screening compound: N-(3-chloro-4-fluorophenyl)-2-{[3-(4-ethylphenyl)-5-methyl-4-oxo-7-phenyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
C200-6160 Screening compound: N-(3-chloro-4-fluorophenyl)-2-{[3-(4-ethylphenyl)-5-methyl-4-oxo-7-phenyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-6160
N-(3-chloro-4-fluorophenyl)-2-{[3-(4-ethylphenyl)-5-methyl-4-oxo-7-phenyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}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

C200-6160

Molecular Formula

C29H24ClFN4O2S (C29 H24 ClFN4 O2 S)

Compound Name

N-(3-chloro-4-fluorophenyl)-2-{[3-(4-ethylphenyl)-5-methyl-4-oxo-7-phenyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide

IUPAC name

N-(3-chloro-4-fluorophenyl)-2-{[3-(4-ethylphenyl)-5-methyl-4-oxo-7-phenyl-3H4H5H-pyrrolo[32-d]pyrimidin-2-yl]sulfanyl}acetamide

SMILES

CCc(cc1)ccc1N(C1=O)C(SCC(Nc(cc2)cc(Cl)c2F)=O)=Nc2c1n(C)cc2-c1ccccc1

InChI

InChI=1S/C29H24ClFN4O2S/c1-3-18-9-12-21(13-10-18)35-28(37)27-26(22(16-34(27)2)19-7-5-4-6-8-19)33-29(35)38-17-25(36)32-20-11-14-24(31)23(30)15-20/h4-16H,3,17H2,1-2H3,(H,32,36)

InChI Key

IXHIXNYYYCZBPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14728068

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

547.05

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

6.353

Distribution Coefficient, logD

6.349

Water Solubility, LogSw

-6.08

Polar Surface Area

48.483

Acid Dissociation Constant (pKa)

9.44

Base Dissociation Constant (pKb)

0.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.80

C200-6160 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C200-6160 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-6160?
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What is the minimum amount of C200-6160 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-6160
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-6160
  • 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 C200-6160 available by request