7832-0106 Screening compound: 1-{3-[3-(quinolin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]phenyl}ethan-1-one

7832-0106 Screening compound: 1-{3-[3-(quinolin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]phenyl}ethan-1-one
7832-0106 Screening compound: 1-{3-[3-(quinolin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]phenyl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 7832-0106
1-{3-[3-(quinolin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]phenyl}ethan-1-one

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

7832-0106

Molecular Formula

C19H14N4OS (C19 H14 N4 OS)

Compound Name

1-{3-[3-(quinolin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]phenyl}ethan-1-one

IUPAC name

1-{3-[3-(quinolin-2-yl)-5-sulfanyl-4H-124-triazol-4-yl]phenyl}ethan-1-one

SMILES

CC(c1cccc(-n2c(S)nnc2-c2nc3ccccc3cc2)c1)=O

InChI

InChI=1S/C19H14N4OS/c1-12(24)14-6-4-7-15(11-14)23-18(21-22-19(23)25)17-10-9-13-5-2-3-8-16(13)20-17/h2-11H,1H3,(H,22,25)

InChI Key

ZRUVGBPCNNGJIA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06015868

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.089

Distribution Coefficient, logD

1.889

Water Solubility, LogSw

-3.44

Polar Surface Area

45.615

Acid Dissociation Constant (pKa)

6.23

Base Dissociation Constant (pKb)

3.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

7832-0106 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 7832-0106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7832-0106?
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What is the minimum amount of 7832-0106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7832-0106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7832-0106
  • 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 7832-0106 available by request