8020-3764 Screening compound: 5-(3-nitrophenyl)-3-[(1H-1,2,4-triazol-1-yl)methyl]-1H-1,2,4-triazole

8020-3764 Screening compound: 5-(3-nitrophenyl)-3-[(1H-1,2,4-triazol-1-yl)methyl]-1H-1,2,4-triazole
8020-3764 Screening compound: 5-(3-nitrophenyl)-3-[(1H-1,2,4-triazol-1-yl)methyl]-1H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-3764
5-(3-nitrophenyl)-3-[(1H-1,2,4-triazol-1-yl)methyl]-1H-1,2,4-triazole

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

8020-3764

Molecular Formula

C11H9N7O2 (C11 H9 N7 O2)

Compound Name

5-(3-nitrophenyl)-3-[(1H-1,2,4-triazol-1-yl)methyl]-1H-1,2,4-triazole

IUPAC name

5-(3-nitrophenyl)-3-[(1H-124-triazol-1-yl)methyl]-1H-124-triazole

SMILES

[O-][N+](c1cc(-c2nc(Cn3ncnc3)n[nH]2)ccc1)=O

InChI

InChI=1S/C11H9N7O2/c19-18(20)9-3-1-2-8(4-9)11-14-10(15-16-11)5-17-7-12-6-13-17/h1-4,6-7H,5H2,(H,14,15,16)

InChI Key

SQGYRQRNTZPCFQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13816435

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

271.24

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.892

Distribution Coefficient, logD

0.806

Water Solubility, LogSw

-1.83

Polar Surface Area

93.372

Acid Dissociation Constant (pKa)

8.07

Base Dissociation Constant (pKb)

4.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with 8020-3764 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-3764?
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What is the minimum amount of 8020-3764 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-3764
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-3764
  • 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 8020-3764 available by request