0568-0763 Screening compound: 5-nitro-2-[6-(5-nitro-1H-1,3-benzimidazol-2-yl)hexyl]-1H-1,3-benzimidazole

0568-0763 Screening compound: 5-nitro-2-[6-(5-nitro-1H-1,3-benzimidazol-2-yl)hexyl]-1H-1,3-benzimidazole
0568-0763 Screening compound: 5-nitro-2-[6-(5-nitro-1H-1,3-benzimidazol-2-yl)hexyl]-1H-1,3-benzimidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 0568-0763
5-nitro-2-[6-(5-nitro-1H-1,3-benzimidazol-2-yl)hexyl]-1H-1,3-benzimidazole

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

0568-0763

Molecular Formula

C20H20N6O4 (C20 H20 N6 O4)

Compound Name

5-nitro-2-[6-(5-nitro-1H-1,3-benzimidazol-2-yl)hexyl]-1H-1,3-benzimidazole

IUPAC name

5-nitro-2-[6-(5-nitro-1H-13-benzodiazol-2-yl)hexyl]-1H-13-benzodiazole

SMILES

[O-][N+](c(cc1)cc2c1[nH]c(CCCCCCc1nc(cc(cc3)[N+]([O-])=O)c3[nH]1)n2)=O

InChI

InChI=1S/C20H20N6O4/c27-25(28)13-7-9-15-17(11-13)23-19(21-15)5-3-1-2-4-6-20-22-16-10-8-14(26(29)30)12-18(16)24-20/h7-12H,1-6H2,(H,21,23)(H,22,24)

InChI Key

RWQPAMIYBUSFQP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00340216

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.42

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.116

Distribution Coefficient, logD

5.102

Water Solubility, LogSw

-5.37

Polar Surface Area

107.293

Acid Dissociation Constant (pKa)

10.43

Base Dissociation Constant (pKb)

4.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

0568-0763 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0568-0763 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0568-0763?
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What is the minimum amount of 0568-0763 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0568-0763
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0568-0763
  • 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 0568-0763 available by request