5991-0763 Screening compound: N-{3-cyano-1-[(4-methoxyphenyl)methyl]-4,5-diphenyl-1H-pyrrol-2-yl}-3-nitrobenzamide

5991-0763 Screening compound: N-{3-cyano-1-[(4-methoxyphenyl)methyl]-4,5-diphenyl-1H-pyrrol-2-yl}-3-nitrobenzamide
5991-0763 Screening compound: N-{3-cyano-1-[(4-methoxyphenyl)methyl]-4,5-diphenyl-1H-pyrrol-2-yl}-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5991-0763
N-{3-cyano-1-[(4-methoxyphenyl)methyl]-4,5-diphenyl-1H-pyrrol-2-yl}-3-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

5991-0763

Molecular Formula

C32H24N4O4 (C32 H24 N4 O4)

Compound Name

N-{3-cyano-1-[(4-methoxyphenyl)methyl]-4,5-diphenyl-1H-pyrrol-2-yl}-3-nitrobenzamide

IUPAC name

N-{3-cyano-1-[(4-methoxyphenyl)methyl]-45-diphenyl-1H-pyrrol-2-yl}-3-nitrobenzamide

SMILES

COc1ccc(Cn(c(-c2ccccc2)c2-c3ccccc3)c(NC(c3cccc([N+]([O-])=O)c3)=O)c2C#N)cc1

InChI

InChI=1S/C32H24N4O4/c1-40-27-17-15-22(16-18-27)21-35-30(24-11-6-3-7-12-24)29(23-9-4-2-5-10-23)28(20-33)31(35)34-32(37)25-13-8-14-26(19-25)36(38)39/h2-19H,21H2,1H3,(H,34,37)

InChI Key

YYUMDXOVTSSVSR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03489393

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

528.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.649

Distribution Coefficient, logD

6.649

Water Solubility, LogSw

-5.74

Polar Surface Area

81.167

Acid Dissociation Constant (pKa)

10.74

Base Dissociation Constant (pKb)

-3.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

References: we are preparing a list of scientific research reports with 5991-0763 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5991-0763?
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What is the minimum amount of 5991-0763 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5991-0763
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5991-0763
  • 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 5991-0763 available by request