8017-7248 Screening compound: 4-(5-chloro-2-methoxyphenyl)-5-(3-pyridyl)-4H-1,2,4-triazol-3-ylhydrosulfide

8017-7248 Screening compound: 4-(5-chloro-2-methoxyphenyl)-5-(3-pyridyl)-4H-1,2,4-triazol-3-ylhydrosulfide
8017-7248 Screening compound: 4-(5-chloro-2-methoxyphenyl)-5-(3-pyridyl)-4H-1,2,4-triazol-3-ylhydrosulfide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-7248
4-(5-chloro-2-methoxyphenyl)-5-(3-pyridyl)-4H-1,2,4-triazol-3-ylhydrosulfide

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

8017-7248

Molecular Formula

C14H11ClN4OS (C14 H11 ClN4 OS)

Compound Name

4-(5-chloro-2-methoxyphenyl)-5-(3-pyridyl)-4H-1,2,4-triazol-3-ylhydrosulfide

IUPAC name

n/a

SMILES

COc(ccc(Cl)c1)c1-n1c(S)nnc1-c1cnccc1

InChI

InChI=1S/C14H11ClN4OS/c1-20-12-5-4-10(15)7-11(12)19-13(17-18-14(19)21)9-3-2-6-16-8-9/h2-8H,1H3,(H,18,21)

InChI Key

SLJCKXUOVIADNP-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.79

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.195

Distribution Coefficient, logD

0.716

Water Solubility, LogSw

-2.84

Polar Surface Area

40.305

Acid Dissociation Constant (pKa)

5.94

Base Dissociation Constant (pKb)

5.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

8017-7248 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8017-7248 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-7248?
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What is the minimum amount of 8017-7248 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-7248
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-7248
  • 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 8017-7248 available by request