C163-0208 Screening compound: 4-(5-methyl-3-nitro-1H-pyrazol-1-yl)-N-{1-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl}butanamide

C163-0208 Screening compound: 4-(5-methyl-3-nitro-1H-pyrazol-1-yl)-N-{1-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl}butanamide
C163-0208 Screening compound: 4-(5-methyl-3-nitro-1H-pyrazol-1-yl)-N-{1-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C163-0208
4-(5-methyl-3-nitro-1H-pyrazol-1-yl)-N-{1-[(2-methylphenyl)methyl]-1H-pyrazol-4-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

C163-0208

Molecular Formula

C19H22N6O3 (C19 H22 N6 O3)

Compound Name

4-(5-methyl-3-nitro-1H-pyrazol-1-yl)-N-{1-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl}butanamide

IUPAC name

4-(5-methyl-3-nitro-1H-pyrazol-1-yl)-N-{1-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl}butanamide

SMILES

Cc1cc([N+]([O-])=O)nn1CCCC(Nc1cn(Cc2c(C)cccc2)nc1)=O

InChI

InChI=1S/C19H22N6O3/c1-14-6-3-4-7-16(14)12-23-13-17(11-20-23)21-19(26)8-5-9-24-15(2)10-18(22-24)25(27)28/h3-4,6-7,10-11,13H,5,8-9,12H2,1-2H3,(H,21,26)

InChI Key

PXNXVUHFIDFHRI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06164476

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.698

Distribution Coefficient, logD

1.697

Water Solubility, LogSw

-2.32

Polar Surface Area

84.646

Acid Dissociation Constant (pKa)

10.12

Base Dissociation Constant (pKb)

-0.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

C163-0208 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C163-0208 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C163-0208?
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What is the minimum amount of C163-0208 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C163-0208
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C163-0208
  • 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 C163-0208 available by request