C200-9072 Screening compound: 4-{[(3-chlorophenyl)methyl]sulfanyl}-1-(propan-2-yl)-[1,2,4]triazolo[4,3-a]quinoxaline

C200-9072 Screening compound: 4-{[(3-chlorophenyl)methyl]sulfanyl}-1-(propan-2-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
C200-9072 Screening compound: 4-{[(3-chlorophenyl)methyl]sulfanyl}-1-(propan-2-yl)-[1,2,4]triazolo[4,3-a]quinoxaline alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-9072
4-{[(3-chlorophenyl)methyl]sulfanyl}-1-(propan-2-yl)-[1,2,4]triazolo[4,3-a]quinoxaline

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

C200-9072

Molecular Formula

C19H17ClN4S (C19 H17 ClN4 S)

Compound Name

4-{[(3-chlorophenyl)methyl]sulfanyl}-1-(propan-2-yl)-[1,2,4]triazolo[4,3-a]quinoxaline

IUPAC name

4-{[(3-chlorophenyl)methyl]sulfanyl}-1-(propan-2-yl)-[124]triazolo[43-a]quinoxaline

SMILES

CC(C)c1nnc2n1c(cccc1)c1nc2SCc1cccc(Cl)c1

InChI

InChI=1S/C19H17ClN4S/c1-12(2)17-22-23-18-19(25-11-13-6-5-7-14(20)10-13)21-15-8-3-4-9-16(15)24(17)18/h3-10,12H,11H2,1-2H3

InChI Key

YVVDBWLNGKOYMP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14728995

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.89

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.279

Distribution Coefficient, logD

5.279

Water Solubility, LogSw

-5.83

Polar Surface Area

29.780

Acid Dissociation Constant (pKa)

23.50

Base Dissociation Constant (pKb)

2.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

C200-9072 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C200-9072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-9072?
Check Price and Availability of C200-9072, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C200-9072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-9072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-9072
  • 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 C200-9072 available by request