2083-0310 Screening compound: (1Z)-N1-{[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene}-1H-1,2,3,4-tetrazole-1,5-diamine

2083-0310 Screening compound: (1Z)-N1-{[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene}-1H-1,2,3,4-tetrazole-1,5-diamine
2083-0310 Screening compound: (1Z)-N1-{[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene}-1H-1,2,3,4-tetrazole-1,5-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 2083-0310
(1Z)-N1-{[5-(2-bromo-4-nitrophenyl)furan-2-yl]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

2083-0310

Molecular Formula

C12H8BrN7O3 (C12 H8 BrN7 O3)

Compound Name

(1Z)-N1-{[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene}-1H-1,2,3,4-tetrazole-1,5-diamine

IUPAC name

(1Z)-N1-{[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene}-1H-1234-tetrazole-15-diamine

SMILES

Nc1nnnn1/N=C\c1ccc(-c(ccc([N+]([O-])=O)c2)c2Br)o1

InChI

InChI=1S/C12H8BrN7O3/c13-10-5-7(20(21)22)1-3-9(10)11-4-2-8(23-11)6-15-19-12(14)16-17-18-19/h1-6H,(H2,14,16,18)

InChI Key

NMGPPLHHLJLCOR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01157174

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.14

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.405

Distribution Coefficient, logD

2.405

Water Solubility, LogSw

-2.75

Polar Surface Area

110.750

Acid Dissociation Constant (pKa)

18.50

Base Dissociation Constant (pKb)

2.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

2083-0310 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2083-0310 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2083-0310?
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What is the minimum amount of 2083-0310 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2083-0310
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2083-0310
  • 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 2083-0310 available by request