8017-4999 Screening compound: 5-{[2-(2,4-dichlorobenzyl)-2H-1,2,3,4-tetraazol-5-yl]methyl}-4-methyl-4H-1,2,4-triazol-3-ylhydrosulfide

8017-4999 Screening compound: 5-{[2-(2,4-dichlorobenzyl)-2H-1,2,3,4-tetraazol-5-yl]methyl}-4-methyl-4H-1,2,4-triazol-3-ylhydrosulfide
8017-4999 Screening compound: 5-{[2-(2,4-dichlorobenzyl)-2H-1,2,3,4-tetraazol-5-yl]methyl}-4-methyl-4H-1,2,4-triazol-3-ylhydrosulfide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-4999
5-{[2-(2,4-dichlorobenzyl)-2H-1,2,3,4-tetraazol-5-yl]methyl}-4-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

8017-4999

Molecular Formula

C12H11Cl2N7S (C12 H11 Cl2 N7 S)

Compound Name

5-{[2-(2,4-dichlorobenzyl)-2H-1,2,3,4-tetraazol-5-yl]methyl}-4-methyl-4H-1,2,4-triazol-3-ylhydrosulfide

IUPAC name

5-({2-[(24-dichlorophenyl)methyl]-2H-1234-tetrazol-5-yl}methyl)-4-methyl-4H-124-triazole-3-thiol

SMILES

Cn1c(S)nnc1Cc1nn(Cc(ccc(Cl)c2)c2Cl)nn1

InChI

InChI=1S/C12H11Cl2N7S/c1-20-11(16-17-12(20)22)5-10-15-19-21(18-10)6-7-2-3-8(13)4-9(7)14/h2-4H,5-6H2,1H3,(H,17,22)

InChI Key

ZWSYPQBMYGONFV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06017361

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.24

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.926

Distribution Coefficient, logD

1.501

Water Solubility, LogSw

-2.53

Polar Surface Area

64.137

Acid Dissociation Constant (pKa)

7.18

Base Dissociation Constant (pKb)

10.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 8017-4999 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-4999?
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What is the minimum amount of 8017-4999 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-4999
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-4999
  • 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 8017-4999 available by request