8010-9000 Screening compound: 2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-5-nitropyridine

8010-9000 Screening compound: 2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-5-nitropyridine
8010-9000 Screening compound: 2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-5-nitropyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-9000
2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-5-nitropyridine

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

8010-9000

Molecular Formula

C19H12ClN5O2S (C19 H12 ClN5 O2 S)

Compound Name

2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-5-nitropyridine

IUPAC name

2-{[5-(4-chlorophenyl)-4-phenyl-4H-124-triazol-3-yl]sulfanyl}-5-nitropyridine

SMILES

[O-][N+](c(cc1)cnc1Sc1nnc(-c(cc2)ccc2Cl)n1-c1ccccc1)=O

InChI

InChI=1S/C19H12ClN5O2S/c20-14-8-6-13(7-9-14)18-22-23-19(24(18)15-4-2-1-3-5-15)28-17-11-10-16(12-21-17)25(26)27/h1-12H

InChI Key

FJKJMJANKNCURA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01899653

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.86

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.137

Distribution Coefficient, logD

5.137

Water Solubility, LogSw

-5.97

Polar Surface Area

66.592

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

2.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8010-9000 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 8010-9000 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-9000?
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What is the minimum amount of 8010-9000 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-9000
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-9000
  • 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 8010-9000 available by request