C163-0330 Screening compound: 4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-[3-(4-acetamidophenoxy)-5-nitrophenyl]butanamide

C163-0330 Screening compound: 4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-[3-(4-acetamidophenoxy)-5-nitrophenyl]butanamide
C163-0330 Screening compound: 4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-[3-(4-acetamidophenoxy)-5-nitrophenyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C163-0330
4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-[3-(4-acetamidophenoxy)-5-nitrophenyl]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

C163-0330

Molecular Formula

C23H24N6O7 (C23 H24 N6 O7)

Compound Name

4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-[3-(4-acetamidophenoxy)-5-nitrophenyl]butanamide

IUPAC name

4-(35-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-[3-(4-acetamidophenoxy)-5-nitrophenyl]butanamide

SMILES

CC(Nc(cc1)ccc1Oc1cc(NC(CCCn2nc(C)c([N+]([O-])=O)c2C)=O)cc([N+]([O-])=O)c1)=O

InChI

InChI=1S/C23H24N6O7/c1-14-23(29(34)35)15(2)27(26-14)10-4-5-22(31)25-18-11-19(28(32)33)13-21(12-18)36-20-8-6-17(7-9-20)24-16(3)30/h6-9,11-13H,4-5,10H2,1-3H3,(H,24,30)(H,25,31)

InChI Key

PQQSEJWLWLLFJB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06164507

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.48

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

2.496

Distribution Coefficient, logD

2.493

Water Solubility, LogSw

-2.99

Polar Surface Area

133.819

Acid Dissociation Constant (pKa)

9.48

Base Dissociation Constant (pKb)

0.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

C163-0330 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C163-0330 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C163-0330?
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What is the minimum amount of C163-0330 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C163-0330
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C163-0330
  • 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 C163-0330 available by request