8018-1416 Screening compound: 4-(5-chloro-2-methoxyphenyl)-5-{[2-(2-pyridyl)-1H-1,3-benzimidazol-1-yl]methyl}-4H-1,2,4-triazol-3-ylhydrosulfide

8018-1416 Screening compound: 4-(5-chloro-2-methoxyphenyl)-5-{[2-(2-pyridyl)-1H-1,3-benzimidazol-1-yl]methyl}-4H-1,2,4-triazol-3-ylhydrosulfide
8018-1416 Screening compound: 4-(5-chloro-2-methoxyphenyl)-5-{[2-(2-pyridyl)-1H-1,3-benzimidazol-1-yl]methyl}-4H-1,2,4-triazol-3-ylhydrosulfide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-1416
4-(5-chloro-2-methoxyphenyl)-5-{[2-(2-pyridyl)-1H-1,3-benzimidazol-1-yl]methyl}-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

8018-1416

Molecular Formula

C22H17ClN6OS (C22 H17 ClN6 OS)

Compound Name

4-(5-chloro-2-methoxyphenyl)-5-{[2-(2-pyridyl)-1H-1,3-benzimidazol-1-yl]methyl}-4H-1,2,4-triazol-3-ylhydrosulfide

IUPAC name

n/a

SMILES

COc(ccc(Cl)c1)c1-n1c(S)nnc1Cn1c(-c2ncccc2)nc2c1cccc2

InChI

InChI=1S/C22H17ClN6OS/c1-30-19-10-9-14(23)12-18(19)29-20(26-27-22(29)31)13-28-17-8-3-2-6-15(17)25-21(28)16-7-4-5-11-24-16/h2-12H,13H2,1H3,(H,27,31)

InChI Key

QLKDZJIVKUQGHQ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.94

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.652

Distribution Coefficient, logD

2.392

Water Solubility, LogSw

-3.80

Polar Surface Area

50.740

Acid Dissociation Constant (pKa)

6.17

Base Dissociation Constant (pKb)

6.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

8018-1416 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 8018-1416 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-1416?
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What is the minimum amount of 8018-1416 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-1416
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-1416
  • 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 8018-1416 available by request