7832-0219 Screening compound: 4-(methylsulfanyl)-2-[3-(quinolin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]butanoic acid

7832-0219 Screening compound: 4-(methylsulfanyl)-2-[3-(quinolin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]butanoic acid
7832-0219 Screening compound: 4-(methylsulfanyl)-2-[3-(quinolin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 7832-0219
4-(methylsulfanyl)-2-[3-(quinolin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]butanoic acid

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

7832-0219

Molecular Formula

C16H16N4O2S2 (C16 H16 N4 O2 S2)

Compound Name

4-(methylsulfanyl)-2-[3-(quinolin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]butanoic acid

IUPAC name

4-(methylsulfanyl)-2-[3-(quinolin-2-yl)-5-sulfanyl-4H-124-triazol-4-yl]butanoic acid

SMILES

CSCCC(C(O)=O)n1c(S)nnc1-c1nc2ccccc2cc1

InChI

InChI=1S/C16H16N4O2S2/c1-24-9-8-13(15(21)22)20-14(18-19-16(20)23)12-7-6-10-4-2-3-5-11(10)17-12/h2-7,13H,8-9H2,1H3,(H,19,23)(H,21,22)/t13-/m0/s1

InChI Key

ZNLBRKMAEMAUEZ-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD06017183

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.038

Distribution Coefficient, logD

-1.254

Water Solubility, LogSw

-2.51

Polar Surface Area

60.005

Acid Dissociation Constant (pKa)

4.11

Base Dissociation Constant (pKb)

2.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

7832-0219 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 7832-0219 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7832-0219?
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What is the minimum amount of 7832-0219 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7832-0219
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7832-0219
  • 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 7832-0219 available by request