C200-8084 Screening compound: N-(3-chloro-4-methoxyphenyl)-2-{[7-methyl-5-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetamide

C200-8084 Screening compound: N-(3-chloro-4-methoxyphenyl)-2-{[7-methyl-5-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetamide
C200-8084 Screening compound: N-(3-chloro-4-methoxyphenyl)-2-{[7-methyl-5-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-8084
N-(3-chloro-4-methoxyphenyl)-2-{[7-methyl-5-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-3-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

C200-8084

Molecular Formula

C22H20ClN5O2S (C22 H20 ClN5 O2 S)

Compound Name

N-(3-chloro-4-methoxyphenyl)-2-{[7-methyl-5-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetamide

IUPAC name

N-(3-chloro-4-methoxyphenyl)-2-{[7-methyl-5-(4-methylphenyl)-[124]triazolo[43-c]pyrimidin-3-yl]sulfanyl}acetamide

SMILES

Cc(cc1)ccc1-c(n12)nc(C)cc2nnc1SCC(Nc(cc1)cc(Cl)c1OC)=O

InChI

InChI=1S/C22H20ClN5O2S/c1-13-4-6-15(7-5-13)21-24-14(2)10-19-26-27-22(28(19)21)31-12-20(29)25-16-8-9-18(30-3)17(23)11-16/h4-11H,12H2,1-3H3,(H,25,29)

InChI Key

YTXSFYBACFFHDB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14728674

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.95

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.791

Distribution Coefficient, logD

3.965

Water Solubility, LogSw

-4.96

Polar Surface Area

60.635

Acid Dissociation Constant (pKa)

10.62

Base Dissociation Constant (pKb)

8.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

C200-8084 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Antifungal Library (16415 compounds)

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal
  • Nervous system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C200-8084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-8084?
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What is the minimum amount of C200-8084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-8084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-8084
  • 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 C200-8084 available by request