8018-3794 Screening compound: 1-{2-methyl-5-[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl}-1H-1,2,3,4-tetrazole

8018-3794 Screening compound: 1-{2-methyl-5-[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl}-1H-1,2,3,4-tetrazole
8018-3794 Screening compound: 1-{2-methyl-5-[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl}-1H-1,2,3,4-tetrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-3794
1-{2-methyl-5-[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl}-1H-1,2,3,4-tetrazole

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

8018-3794

Molecular Formula

C17H14N8O2S (C17 H14 N8 O2 S)

Compound Name

1-{2-methyl-5-[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl}-1H-1,2,3,4-tetrazole

IUPAC name

1-{2-methyl-5-[(5-methyl-4-phenyl-4H-124-triazol-3-yl)sulfanyl]-4-nitrophenyl}-1H-1234-tetrazole

SMILES

Cc(n1-c2ccccc2)nnc1Sc(cc(c(C)c1)-n2nnnc2)c1[N+]([O-])=O

InChI

InChI=1S/C17H14N8O2S/c1-11-8-15(25(26)27)16(9-14(11)23-10-18-21-22-23)28-17-20-19-12(2)24(17)13-6-4-3-5-7-13/h3-10H,1-2H3

InChI Key

KMRISBNWJXGJHP-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.42

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.159

Distribution Coefficient, logD

3.159

Water Solubility, LogSw

-3.45

Polar Surface Area

98.306

Acid Dissociation Constant (pKa)

25.78

Base Dissociation Constant (pKb)

4.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.76

References: we are preparing a list of scientific research reports with 8018-3794 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-3794?
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What is the minimum amount of 8018-3794 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-3794
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-3794
  • 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 8018-3794 available by request