C163-0242 Screening compound: N-(2-chloro-4-nitrophenyl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide

C163-0242 Screening compound: N-(2-chloro-4-nitrophenyl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide
C163-0242 Screening compound: N-(2-chloro-4-nitrophenyl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C163-0242
N-(2-chloro-4-nitrophenyl)-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

C163-0242

Molecular Formula

C15H16ClN5O5 (C15 H16 ClN5 O5)

Compound Name

N-(2-chloro-4-nitrophenyl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide

IUPAC name

N-(2-chloro-4-nitrophenyl)-4-(35-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide

SMILES

Cc(n(CCCC(Nc(ccc([N+]([O-])=O)c1)c1Cl)=O)nc1C)c1[N+]([O-])=O

InChI

InChI=1S/C15H16ClN5O5/c1-9-15(21(25)26)10(2)19(18-9)7-3-4-14(22)17-13-6-5-11(20(23)24)8-12(13)16/h5-6,8H,3-4,7H2,1-2H3,(H,17,22)

InChI Key

YYQQBMBLRQUGBK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14723438

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.78

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.673

Distribution Coefficient, logD

1.279

Water Solubility, LogSw

-2.76

Polar Surface Area

103.111

Acid Dissociation Constant (pKa)

7.23

Base Dissociation Constant (pKb)

-1.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with C163-0242 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C163-0242?
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What is the minimum amount of C163-0242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C163-0242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C163-0242
  • 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 C163-0242 available by request