C163-0292 Screening compound: 4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-one

C163-0292 Screening compound: 4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-one
C163-0292 Screening compound: 4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C163-0292
4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-one

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

C163-0292

Molecular Formula

C20H27N5O4 (C20 H27 N5 O4)

Compound Name

4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-one

IUPAC name

4-(35-dimethyl-4-nitro-1H-pyrazol-1-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-one

SMILES

Cc(n(CCCC(N(CC1)CCN1c(cccc1)c1OC)=O)nc1C)c1[N+]([O-])=O

InChI

InChI=1S/C20H27N5O4/c1-15-20(25(27)28)16(2)24(21-15)10-6-9-19(26)23-13-11-22(12-14-23)17-7-4-5-8-18(17)29-3/h4-5,7-8H,6,9-14H2,1-3H3

InChI Key

AOHNHUAYRIHWGT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06164491

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.472

Distribution Coefficient, logD

1.472

Water Solubility, LogSw

-1.88

Polar Surface Area

74.261

Acid Dissociation Constant (pKa)

23.27

Base Dissociation Constant (pKb)

4.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

C163-0292 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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 C163-0292 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C163-0292?
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What is the minimum amount of C163-0292 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C163-0292
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C163-0292
  • 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 C163-0292 available by request