0568-0762 Screening compound: 5-nitro-2-[4-(5-nitro-1H-1,3-benzodiazol-2-yl)butyl]-1H-1,3-benzodiazole

0568-0762 Screening compound: 5-nitro-2-[4-(5-nitro-1H-1,3-benzodiazol-2-yl)butyl]-1H-1,3-benzodiazole
0568-0762 Screening compound: 5-nitro-2-[4-(5-nitro-1H-1,3-benzodiazol-2-yl)butyl]-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 0568-0762
5-nitro-2-[4-(5-nitro-1H-1,3-benzodiazol-2-yl)butyl]-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

0568-0762

Molecular Formula

C18H16N6O4 (C18 H16 N6 O4)

Compound Name

5-nitro-2-[4-(5-nitro-1H-1,3-benzodiazol-2-yl)butyl]-1H-1,3-benzodiazole

IUPAC name

5-nitro-2-[4-(5-nitro-1H-13-benzodiazol-2-yl)butyl]-1H-13-benzodiazole

SMILES

[O-][N+](c(cc1)cc2c1[nH]c(CCCCc1nc(cc(cc3)[N+]([O-])=O)c3[nH]1)n2)=O

InChI

InChI=1S/C18H16N6O4/c25-23(26)11-5-7-13-15(9-11)21-17(19-13)3-1-2-4-18-20-14-8-6-12(24(27)28)10-16(14)22-18/h5-10H,1-4H2,(H,19,21)(H,20,22)

InChI Key

WHFWYIBXGBGXFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00349823

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.36

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.124

Distribution Coefficient, logD

4.110

Water Solubility, LogSw

-4.38

Polar Surface Area

107.293

Acid Dissociation Constant (pKa)

9.62

Base Dissociation Constant (pKb)

3.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with 0568-0762 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0568-0762?
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What is the minimum amount of 0568-0762 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0568-0762
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0568-0762
  • 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 0568-0762 available by request