1786-0227 Screening compound: N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-methyl-4-nitrobenzamide

1786-0227 Screening compound: N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-methyl-4-nitrobenzamide
1786-0227 Screening compound: N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-methyl-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1786-0227
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-methyl-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

1786-0227

Molecular Formula

C19H18N4O4 (C19 H18 N4 O4)

Compound Name

N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-methyl-4-nitrobenzamide

IUPAC name

N-(15-dimethyl-3-oxo-2-phenyl-23-dihydro-1H-pyrazol-4-yl)-3-methyl-4-nitrobenzamide

SMILES

CC(N(C)N(C1=O)c2ccccc2)=C1NC(c(cc1)cc(C)c1[N+]([O-])=O)=O

InChI

InChI=1S/C19H18N4O4/c1-12-11-14(9-10-16(12)23(26)27)18(24)20-17-13(2)21(3)22(19(17)25)15-7-5-4-6-8-15/h4-11H,1-3H3,(H,20,24)

InChI Key

BKGUEUDIRYDVLA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00825282

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.016

Distribution Coefficient, logD

0.763

Water Solubility, LogSw

-2.67

Polar Surface Area

76.791

Acid Dissociation Constant (pKa)

6.17

Base Dissociation Constant (pKb)

0.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

References: we are preparing a list of scientific research reports with 1786-0227 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1786-0227?
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What is the minimum amount of 1786-0227 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1786-0227
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1786-0227
  • 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 1786-0227 available by request