8007-3802 Screening compound: 4-{1-[(1H-1,2,3,4-tetrazol-5-yl)methyl]-1H-1,3-benzodiazol-2-yl}-1,2,5-oxadiazol-3-amine

8007-3802 Screening compound: 4-{1-[(1H-1,2,3,4-tetrazol-5-yl)methyl]-1H-1,3-benzodiazol-2-yl}-1,2,5-oxadiazol-3-amine
8007-3802 Screening compound: 4-{1-[(1H-1,2,3,4-tetrazol-5-yl)methyl]-1H-1,3-benzodiazol-2-yl}-1,2,5-oxadiazol-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-3802
4-{1-[(1H-1,2,3,4-tetrazol-5-yl)methyl]-1H-1,3-benzodiazol-2-yl}-1,2,5-oxadiazol-3-amine

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

8007-3802

Molecular Formula

C11H9N9O (C11 H9 N9 O)

Compound Name

4-{1-[(1H-1,2,3,4-tetrazol-5-yl)methyl]-1H-1,3-benzodiazol-2-yl}-1,2,5-oxadiazol-3-amine

IUPAC name

4-{1-[(1H-1234-tetrazol-5-yl)methyl]-1H-13-benzodiazol-2-yl}-125-oxadiazol-3-amine

SMILES

Nc1nonc1-c1nc(cccc2)c2n1Cc1nnn[nH]1

InChI

InChI=1S/C11H9N9O/c12-10-9(16-21-17-10)11-13-6-3-1-2-4-7(6)20(11)5-8-14-18-19-15-8/h1-4H,5H2,(H2,12,17)(H,14,15,18,19)

InChI Key

KNJOGMJHNSVZCC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01051821

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

283.25

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.201

Distribution Coefficient, logD

1.201

Water Solubility, LogSw

-1.79

Polar Surface Area

118.355

Acid Dissociation Constant (pKa)

5.22

Base Dissociation Constant (pKb)

5.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

8007-3802 in Drug Discovery

Included in Screening Libraries

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

Fragments Library (11262 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 8007-3802 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8007-3802 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-3802
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-3802
  • 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 8007-3802 available by request