8017-3387 Screening compound: 4-(3,5-dichlorophenyl)-5-{[2-(2-pyridyl)-1H-1,3-benzimidazol-1-yl]methyl}-4H-1,2,4-triazol-3-ylhydrosulfide

8017-3387 Screening compound: 4-(3,5-dichlorophenyl)-5-{[2-(2-pyridyl)-1H-1,3-benzimidazol-1-yl]methyl}-4H-1,2,4-triazol-3-ylhydrosulfide
8017-3387 Screening compound: 4-(3,5-dichlorophenyl)-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 8017-3387
4-(3,5-dichlorophenyl)-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

8017-3387

Molecular Formula

C21H14Cl2N6S (C21 H14 Cl2 N6 S)

Compound Name

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

IUPAC name

4-(35-dichlorophenyl)-5-{[2-(pyridin-2-yl)-1H-13-benzodiazol-1-yl]methyl}-4H-124-triazole-3-thiol

SMILES

Sc1nnc(Cn2c(-c3ncccc3)nc3c2cccc3)n1-c1cc(Cl)cc(Cl)c1

InChI

InChI=1S/C21H14Cl2N6S/c22-13-9-14(23)11-15(10-13)29-19(26-27-21(29)30)12-28-18-7-2-1-5-16(18)25-20(28)17-6-3-4-8-24-17/h1-11H,12H2,(H,27,30)

InChI Key

DCCOCLQIMNXOLJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06016084

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.588

Distribution Coefficient, logD

3.329

Water Solubility, LogSw

-4.82

Polar Surface Area

43.410

Acid Dissociation Constant (pKa)

6.17

Base Dissociation Constant (pKb)

6.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.76

8017-3387 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 8017-3387 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8017-3387 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-3387
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-3387
  • 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 8017-3387 available by request