0568-0761 Screening compound: 5-nitro-2-[2-(5-nitro-1H-1,3-benzodiazol-2-yl)ethyl]-1H-1,3-benzodiazole

0568-0761 Screening compound: 5-nitro-2-[2-(5-nitro-1H-1,3-benzodiazol-2-yl)ethyl]-1H-1,3-benzodiazole
0568-0761 Screening compound: 5-nitro-2-[2-(5-nitro-1H-1,3-benzodiazol-2-yl)ethyl]-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 0568-0761
5-nitro-2-[2-(5-nitro-1H-1,3-benzodiazol-2-yl)ethyl]-1H-1,3-benzodiazole

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

0568-0761

Molecular Formula

C16H12N6O4 (C16 H12 N6 O4)

Compound Name

5-nitro-2-[2-(5-nitro-1H-1,3-benzodiazol-2-yl)ethyl]-1H-1,3-benzodiazole

IUPAC name

5-nitro-2-[2-(5-nitro-1H-13-benzodiazol-2-yl)ethyl]-1H-13-benzodiazole

SMILES

[O-][N+](c(cc1)cc2c1[nH]c(CCc1nc(cc(cc3)[N+]([O-])=O)c3[nH]1)n2)=O

InChI

InChI=1S/C16H12N6O4/c23-21(24)9-1-3-11-13(7-9)19-15(17-11)5-6-16-18-12-4-2-10(22(25)26)8-14(12)20-16/h1-4,7-8H,5-6H2,(H,17,19)(H,18,20)

InChI Key

BOXGNPCIGUQGGE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00371985

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.31

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.604

Distribution Coefficient, logD

3.538

Water Solubility, LogSw

-3.89

Polar Surface Area

107.293

Acid Dissociation Constant (pKa)

8.19

Base Dissociation Constant (pKb)

4.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

0568-0761 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0568-0761 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0568-0761?
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What is the minimum amount of 0568-0761 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0568-0761
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0568-0761
  • 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 0568-0761 available by request