C163-0148 Screening compound: N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide

C163-0148 Screening compound: N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide
C163-0148 Screening compound: N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C163-0148
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide

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

C163-0148

Molecular Formula

C19H22N6O4 (C19 H22 N6 O4)

Compound Name

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

IUPAC name

N-(15-dimethyl-3-oxo-2-phenyl-23-dihydro-1H-pyrazol-4-yl)-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide

SMILES

Cc1cc([N+]([O-])=O)nn1CCCC(NC(C1=O)=C(C)N(C)N1c1ccccc1)=O

InChI

InChI=1S/C19H22N6O4/c1-13-12-16(25(28)29)21-23(13)11-7-10-17(26)20-18-14(2)22(3)24(19(18)27)15-8-5-4-6-9-15/h4-6,8-9,12H,7,10-11H2,1-3H3,(H,20,26)

InChI Key

BBXRBJVMVLAPAV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06164460

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.279

Distribution Coefficient, logD

-0.449

Water Solubility, LogSw

-1.79

Polar Surface Area

90.521

Acid Dissociation Constant (pKa)

7.72

Base Dissociation Constant (pKb)

2.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

C163-0148 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anti-Inflammatory Library (24602 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system

References: we are preparing a list of scientific research reports with C163-0148 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C163-0148?
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What is the minimum amount of C163-0148 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C163-0148
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C163-0148
  • 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 C163-0148 available by request