2083-0227 Screening compound: (1Z)-N1-[(3-bromo-4-methoxyphenyl)methylidene]-1H-1,2,3,4-tetrazole-1,5-diamine

2083-0227 Screening compound: (1Z)-N1-[(3-bromo-4-methoxyphenyl)methylidene]-1H-1,2,3,4-tetrazole-1,5-diamine
2083-0227 Screening compound: (1Z)-N1-[(3-bromo-4-methoxyphenyl)methylidene]-1H-1,2,3,4-tetrazole-1,5-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 2083-0227
(1Z)-N1-[(3-bromo-4-methoxyphenyl)methylidene]-1H-1,2,3,4-tetrazole-1,5-diamine

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

2083-0227

Molecular Formula

C9H9BrN6O (C9 H9 BrN6 O)

Compound Name

(1Z)-N1-[(3-bromo-4-methoxyphenyl)methylidene]-1H-1,2,3,4-tetrazole-1,5-diamine

IUPAC name

(1Z)-N1-[(3-bromo-4-methoxyphenyl)methylidene]-1H-1234-tetrazole-15-diamine

SMILES

COc(ccc(/C=N\n1nnnc1N)c1)c1Br

InChI

InChI=1S/C9H9BrN6O/c1-17-8-3-2-6(4-7(8)10)5-12-16-9(11)13-14-15-16/h2-5H,1H3,(H2,11,13,15)

InChI Key

JOZOIBSRYBFPFV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01347034

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.11

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.764

Distribution Coefficient, logD

0.764

Water Solubility, LogSw

-1.70

Polar Surface Area

77.429

Acid Dissociation Constant (pKa)

18.52

Base Dissociation Constant (pKb)

2.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with 2083-0227 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2083-0227?
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What is the minimum amount of 2083-0227 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2083-0227
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2083-0227
  • 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 2083-0227 available by request