K806-0034 Screening compound: 3-nitro-N-{4-[6-(3-nitrobenzamido)-1H-1,3-benzodiazol-2-yl]phenyl}benzamide

K806-0034 Screening compound: 3-nitro-N-{4-[6-(3-nitrobenzamido)-1H-1,3-benzodiazol-2-yl]phenyl}benzamide
K806-0034 Screening compound: 3-nitro-N-{4-[6-(3-nitrobenzamido)-1H-1,3-benzodiazol-2-yl]phenyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K806-0034
3-nitro-N-{4-[6-(3-nitrobenzamido)-1H-1,3-benzodiazol-2-yl]phenyl}benzamide

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

K806-0034

Molecular Formula

C27H18N6O6 (C27 H18 N6 O6)

Compound Name

3-nitro-N-{4-[6-(3-nitrobenzamido)-1H-1,3-benzodiazol-2-yl]phenyl}benzamide

IUPAC name

3-nitro-N-{4-[6-(3-nitrobenzamido)-1H-13-benzodiazol-2-yl]phenyl}benzamide

SMILES

[O-][N+](c1cccc(C(Nc(cc2)ccc2-c2nc(ccc(NC(c3cccc([N+]([O-])=O)c3)=O)c3)c3[nH]2)=O)c1)=O

InChI

InChI=1S/C27H18N6O6/c34-26(17-3-1-5-21(13-17)32(36)37)28-19-9-7-16(8-10-19)25-30-23-12-11-20(15-24(23)31-25)29-27(35)18-4-2-6-22(14-18)33(38)39/h1-15H,(H,28,34)(H,29,35)(H,30,31)

InChI Key

BPERJFCAQODQKA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02938494

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.48

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

5.336

Distribution Coefficient, logD

5.321

Water Solubility, LogSw

-5.81

Polar Surface Area

132.203

Acid Dissociation Constant (pKa)

8.87

Base Dissociation Constant (pKb)

4.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with K806-0034 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K806-0034?
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What is the minimum amount of K806-0034 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K806-0034
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K806-0034
  • 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 K806-0034 available by request