1431-1865 Screening compound: 4-{[3,5-bis(butan-2-yl)-4-oxocyclohexa-2,5-dien-1-ylidene]amino}-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one

1431-1865 Screening compound: 4-{[3,5-bis(butan-2-yl)-4-oxocyclohexa-2,5-dien-1-ylidene]amino}-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one
1431-1865 Screening compound: 4-{[3,5-bis(butan-2-yl)-4-oxocyclohexa-2,5-dien-1-ylidene]amino}-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1431-1865
4-{[3,5-bis(butan-2-yl)-4-oxocyclohexa-2,5-dien-1-ylidene]amino}-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-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

1431-1865

Molecular Formula

C25H31N3O2 (C25 H31 N3 O2)

Compound Name

4-{[3,5-bis(butan-2-yl)-4-oxocyclohexa-2,5-dien-1-ylidene]amino}-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one

IUPAC name

4-{[35-bis(butan-2-yl)-4-oxocyclohexa-25-dien-1-ylidene]amino}-15-dimethyl-2-phenyl-23-dihydro-1H-pyrazol-3-one

SMILES

CCC(C)C(C(C(C(C)CC)=C1)=O)=CC1=NC(C1=O)=C(C)N(C)N1c1ccccc1

InChI

InChI=1S/C25H31N3O2/c1-7-16(3)21-14-19(15-22(24(21)29)17(4)8-2)26-23-18(5)27(6)28(25(23)30)20-12-10-9-11-13-20/h9-17H,7-8H2,1-6H3

InChI Key

IBKCFAGOOSRAMP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00276490

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.872

Distribution Coefficient, logD

4.872

Water Solubility, LogSw

-4.51

Polar Surface Area

42.164

Acid Dissociation Constant (pKa)

28.24

Base Dissociation Constant (pKb)

3.28

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.00

1431-1865 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Frequent Hitters Library (7624 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1431-1865 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1431-1865 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1431-1865
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1431-1865
  • 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 1431-1865 available by request