8018-1437 Screening compound: 4-(1-phenylethyl)-5-{[2-(2-pyridyl)-1H-1,3-benzimidazol-1-yl]methyl}-4H-1,2,4-triazol-3-ylhydrosulfide

8018-1437 Screening compound: 4-(1-phenylethyl)-5-{[2-(2-pyridyl)-1H-1,3-benzimidazol-1-yl]methyl}-4H-1,2,4-triazol-3-ylhydrosulfide
8018-1437 Screening compound: 4-(1-phenylethyl)-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 8018-1437
4-(1-phenylethyl)-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

8018-1437

Molecular Formula

C23H20N6S (C23 H20 N6 S)

Compound Name

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

IUPAC name

n/a

SMILES

CC(c1ccccc1)n1c(S)nnc1Cn1c(-c2ncccc2)nc2c1cccc2

InChI

InChI=1S/C23H20N6S/c1-16(17-9-3-2-4-10-17)29-21(26-27-23(29)30)15-28-20-13-6-5-11-18(20)25-22(28)19-12-7-8-14-24-19/h2-14,16H,15H2,1H3,(H,27,30)/t16-/m0/s1

InChI Key

AMXUEKXZHPBYEJ-INIZCTEOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.910

Distribution Coefficient, logD

3.492

Water Solubility, LogSw

-3.96

Polar Surface Area

43.363

Acid Dissociation Constant (pKa)

7.61

Base Dissociation Constant (pKb)

7.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.00

References: we are preparing a list of scientific research reports with 8018-1437 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-1437?
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What is the minimum amount of 8018-1437 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-1437
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-1437
  • 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 8018-1437 available by request