3290-1836 Screening compound: N-[3-(1H-1,3-benzodiazol-2-yl)-5-(4-nitrobenzamido)phenyl]-4-nitrobenzamide

3290-1836 Screening compound: N-[3-(1H-1,3-benzodiazol-2-yl)-5-(4-nitrobenzamido)phenyl]-4-nitrobenzamide
3290-1836 Screening compound: N-[3-(1H-1,3-benzodiazol-2-yl)-5-(4-nitrobenzamido)phenyl]-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3290-1836
N-[3-(1H-1,3-benzodiazol-2-yl)-5-(4-nitrobenzamido)phenyl]-4-nitrobenzamide

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

3290-1836

Molecular Formula

C27H18N6O6 (C27 H18 N6 O6)

Compound Name

N-[3-(1H-1,3-benzodiazol-2-yl)-5-(4-nitrobenzamido)phenyl]-4-nitrobenzamide

IUPAC name

N-[3-(1H-13-benzodiazol-2-yl)-5-(4-nitrobenzamido)phenyl]-4-nitrobenzamide

SMILES

[O-][N+](c(cc1)ccc1C(Nc1cc(-c2nc(cccc3)c3[nH]2)cc(NC(c(cc2)ccc2[N+]([O-])=O)=O)c1)=O)=O

InChI

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

InChI Key

DLSNPKWREDYSSM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02642179

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

5.652

Distribution Coefficient, logD

5.652

Water Solubility, LogSw

-5.96

Polar Surface Area

132.203

Acid Dissociation Constant (pKa)

11.29

Base Dissociation Constant (pKb)

3.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 3290-1836 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3290-1836?
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What is the minimum amount of 3290-1836 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3290-1836
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3290-1836
  • 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 3290-1836 available by request