8012-3158 Screening compound: 2-[5-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,3,4-tetrazol-1-yl]-N-(naphthalen-1-yl)acetamide

8012-3158 Screening compound: 2-[5-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,3,4-tetrazol-1-yl]-N-(naphthalen-1-yl)acetamide
8012-3158 Screening compound: 2-[5-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,3,4-tetrazol-1-yl]-N-(naphthalen-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-3158
2-[5-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,3,4-tetrazol-1-yl]-N-(naphthalen-1-yl)acetamide

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

8012-3158

Molecular Formula

C15H12N8O2 (C15 H12 N8 O2)

Compound Name

2-[5-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,3,4-tetrazol-1-yl]-N-(naphthalen-1-yl)acetamide

IUPAC name

2-[5-(4-amino-125-oxadiazol-3-yl)-1H-1234-tetrazol-1-yl]-N-(naphthalen-1-yl)acetamide

SMILES

Nc1nonc1-c1nnnn1CC(Nc1cccc2ccccc12)=O

InChI

InChI=1S/C15H12N8O2/c16-14-13(19-25-20-14)15-18-21-22-23(15)8-12(24)17-11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,8H2,(H2,16,20)(H,17,24)

InChI Key

YEGNUAMLWQCPPP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02934658

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.31

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.247

Distribution Coefficient, logD

1.247

Water Solubility, LogSw

-2.39

Polar Surface Area

118.436

Acid Dissociation Constant (pKa)

12.09

Base Dissociation Constant (pKb)

0.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

8012-3158 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 8012-3158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-3158?
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What is the minimum amount of 8012-3158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-3158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-3158
  • 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 8012-3158 available by request