6929-0023 Screening compound: 4-{5-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-1H-1,2,3,4-tetrazol-1-yl}benzoic acid

6929-0023 Screening compound: 4-{5-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-1H-1,2,3,4-tetrazol-1-yl}benzoic acid
6929-0023 Screening compound: 4-{5-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-1H-1,2,3,4-tetrazol-1-yl}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6929-0023
4-{5-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-1H-1,2,3,4-tetrazol-1-yl}benzoic acid

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

6929-0023

Molecular Formula

C11H8N8O4S (C11 H8 N8 O4 S)

Compound Name

4-{5-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-1H-1,2,3,4-tetrazol-1-yl}benzoic acid

IUPAC name

4-{5-[(1-methyl-3-nitro-1H-124-triazol-5-yl)sulfanyl]-1H-1234-tetrazol-1-yl}benzoic acid

SMILES

Cn(c(Sc1nnnn1-c(cc1)ccc1C(O)=O)n1)nc1[N+]([O-])=O

InChI

InChI=1S/C11H8N8O4S/c1-17-10(12-9(14-17)19(22)23)24-11-13-15-16-18(11)7-4-2-6(3-5-7)8(20)21/h2-5H,1H3,(H,20,21)

InChI Key

FEWDUKSJGRPQCZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03854504

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.3

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

1.428

Distribution Coefficient, logD

-1.458

Water Solubility, LogSw

-2.11

Polar Surface Area

125.531

Acid Dissociation Constant (pKa)

4.51

Base Dissociation Constant (pKb)

-2.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

6929-0023 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6929-0023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6929-0023?
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What is the minimum amount of 6929-0023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6929-0023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6929-0023
  • 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 6929-0023 available by request