C163-0320 Screening compound: N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide

C163-0320 Screening compound: N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide
C163-0320 Screening compound: N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C163-0320
N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-4-(3,5-dimethyl-4-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

C163-0320

Molecular Formula

C21H26N6O3 (C21 H26 N6 O3)

Compound Name

N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide

IUPAC name

N-(1-benzyl-35-dimethyl-1H-pyrazol-4-yl)-4-(35-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide

SMILES

Cc(n(Cc1ccccc1)nc1C)c1NC(CCCn1nc(C)c([N+]([O-])=O)c1C)=O

InChI

InChI=1S/C21H26N6O3/c1-14-20(16(3)26(23-14)13-18-9-6-5-7-10-18)22-19(28)11-8-12-25-17(4)21(27(29)30)15(2)24-25/h5-7,9-10H,8,11-13H2,1-4H3,(H,22,28)

InChI Key

PEJLDOZRTGDADJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06164500

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.48

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

1.058

Distribution Coefficient, logD

1.057

Water Solubility, LogSw

-2.22

Polar Surface Area

83.314

Acid Dissociation Constant (pKa)

10.52

Base Dissociation Constant (pKb)

0.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

C163-0320 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 C163-0320 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C163-0320?
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What is the minimum amount of C163-0320 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C163-0320
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C163-0320
  • 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 C163-0320 available by request