8010-4159 Screening compound: 5-phenyl-2-[3-(2H-1,2,3,4-tetraazol-5-yl)benzyl]-2H-1,2,3,4-tetraazole

8010-4159 Screening compound: 5-phenyl-2-[3-(2H-1,2,3,4-tetraazol-5-yl)benzyl]-2H-1,2,3,4-tetraazole
8010-4159 Screening compound: 5-phenyl-2-[3-(2H-1,2,3,4-tetraazol-5-yl)benzyl]-2H-1,2,3,4-tetraazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-4159
5-phenyl-2-[3-(2H-1,2,3,4-tetraazol-5-yl)benzyl]-2H-1,2,3,4-tetraazole

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

8010-4159

Molecular Formula

C15H12N8 (C15 H12 N8)

Compound Name

5-phenyl-2-[3-(2H-1,2,3,4-tetraazol-5-yl)benzyl]-2H-1,2,3,4-tetraazole

IUPAC name

5-phenyl-2-{[3-(2H-1234-tetrazol-5-yl)phenyl]methyl}-2H-1234-tetrazole

SMILES

C(c1cc(-c2n[nH]nn2)ccc1)n1nnc(-c2ccccc2)n1

InChI

InChI=1S/C15H12N8/c1-2-6-12(7-3-1)15-18-22-23(19-15)10-11-5-4-8-13(9-11)14-16-20-21-17-14/h1-9H,10H2,(H,16,17,20,21)

InChI Key

NWXOYOBNOKFZAT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01872389

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.389

Distribution Coefficient, logD

-0.614

Water Solubility, LogSw

-2.57

Polar Surface Area

88.454

Acid Dissociation Constant (pKa)

6.35

Base Dissociation Constant (pKb)

-2.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.67

8010-4159 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8010-4159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-4159?
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What is the minimum amount of 8010-4159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-4159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-4159
  • 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 8010-4159 available by request