3771-8426 Screening compound: N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(3-methyl-4-nitrophenoxy)acetamide

3771-8426 Screening compound: N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(3-methyl-4-nitrophenoxy)acetamide
3771-8426 Screening compound: N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(3-methyl-4-nitrophenoxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3771-8426
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(3-methyl-4-nitrophenoxy)acetamide

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

3771-8426

Molecular Formula

C20H20N4O5 (C20 H20 N4 O5)

Compound Name

N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(3-methyl-4-nitrophenoxy)acetamide

IUPAC name

N-(15-dimethyl-3-oxo-2-phenyl-23-dihydro-1H-pyrazol-4-yl)-2-(3-methyl-4-nitrophenoxy)acetamide

SMILES

CC(N(C)N(C1=O)c2ccccc2)=C1NC(COc(cc1)cc(C)c1[N+]([O-])=O)=O

InChI

InChI=1S/C20H20N4O5/c1-13-11-16(9-10-17(13)24(27)28)29-12-18(25)21-19-14(2)22(3)23(20(19)26)15-7-5-4-6-8-15/h4-11H,12H2,1-3H3,(H,21,25)

InChI Key

PMRNVQBYWHXUBU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02928148

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.074

Distribution Coefficient, logD

2.026

Water Solubility, LogSw

-2.76

Polar Surface Area

84.077

Acid Dissociation Constant (pKa)

8.34

Base Dissociation Constant (pKb)

1.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

3771-8426 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 3771-8426 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3771-8426?
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What is the minimum amount of 3771-8426 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3771-8426
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3771-8426
  • 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 3771-8426 available by request