8009-0167 Screening compound: 2-(2-bromo-1-methylethyl)-2H-1,2,3,4-tetraazole

8009-0167 Screening compound: 2-(2-bromo-1-methylethyl)-2H-1,2,3,4-tetraazole
8009-0167 Screening compound: 2-(2-bromo-1-methylethyl)-2H-1,2,3,4-tetraazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-0167
2-(2-bromo-1-methylethyl)-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

8009-0167

Molecular Formula

C4H7BrN4 (C4 H7 BrN4)

Compound Name

2-(2-bromo-1-methylethyl)-2H-1,2,3,4-tetraazole

IUPAC name

2-(1-bromopropan-2-yl)-2H-1234-tetrazole

SMILES

CC(CBr)n1nncn1

InChI

InChI=1S/C4H7BrN4/c1-4(2-5)9-7-3-6-8-9/h3-4H,2H2,1H3/t4-/m0/s1

InChI Key

AROWRUDDYMCNPY-BYPYZUCNSA-N

MDL Number (MFCD)

MFCD01460759

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

191.03

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.701

Distribution Coefficient, logD

0.701

Water Solubility, LogSw

-0.17

Polar Surface Area

39.679

Acid Dissociation Constant (pKa)

26.40

Base Dissociation Constant (pKb)

-0.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

75.00

8009-0167 in Drug Discovery

Included in Screening Libraries

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

Crystallographic and 19F NMR fragment-libraries (624 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8009-0167 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-0167?
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What is the minimum amount of 8009-0167 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-0167
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-0167
  • 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 8009-0167 available by request