5829-8387 Screening compound: N-(2,4-dichlorophenyl)-4-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxobutanamide

5829-8387 Screening compound: N-(2,4-dichlorophenyl)-4-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxobutanamide
5829-8387 Screening compound: N-(2,4-dichlorophenyl)-4-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxobutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5829-8387
N-(2,4-dichlorophenyl)-4-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxobutanamide

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

5829-8387

Molecular Formula

C15H15Cl2N3O2 (C15 H15 Cl2 N3 O2)

Compound Name

N-(2,4-dichlorophenyl)-4-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxobutanamide

IUPAC name

N-(24-dichlorophenyl)-4-(35-dimethyl-1H-pyrazol-1-yl)-4-oxobutanamide

SMILES

Cc1cc(C)nn1C(CCC(Nc(ccc(Cl)c1)c1Cl)=O)=O

InChI

InChI=1S/C15H15Cl2N3O2/c1-9-7-10(2)20(19-9)15(22)6-5-14(21)18-13-4-3-11(16)8-12(13)17/h3-4,7-8H,5-6H2,1-2H3,(H,18,21)

InChI Key

JVRMNFZHZHJFLP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02766250

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.21

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.978

Distribution Coefficient, logD

1.954

Water Solubility, LogSw

-2.88

Polar Surface Area

49.230

Acid Dissociation Constant (pKa)

8.63

Base Dissociation Constant (pKb)

0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

5829-8387 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5829-8387 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5829-8387?
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What is the minimum amount of 5829-8387 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5829-8387
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5829-8387
  • 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 5829-8387 available by request