1431-1866 Screening compound: 1,5-dimethyl-4-{[4-oxo-3,5-bis(propan-2-yl)cyclohexa-2,5-dien-1-ylidene]amino}-2-phenyl-2,3-dihydro-1H-pyrazol-3-one

1431-1866 Screening compound: 1,5-dimethyl-4-{[4-oxo-3,5-bis(propan-2-yl)cyclohexa-2,5-dien-1-ylidene]amino}-2-phenyl-2,3-dihydro-1H-pyrazol-3-one
1431-1866 Screening compound: 1,5-dimethyl-4-{[4-oxo-3,5-bis(propan-2-yl)cyclohexa-2,5-dien-1-ylidene]amino}-2-phenyl-2,3-dihydro-1H-pyrazol-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1431-1866
1,5-dimethyl-4-{[4-oxo-3,5-bis(propan-2-yl)cyclohexa-2,5-dien-1-ylidene]amino}-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

1431-1866

Molecular Formula

C23H27N3O2 (C23 H27 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C23H27N3O2/c1-14(2)19-12-17(13-20(15(3)4)22(19)27)24-21-16(5)25(6)26(23(21)28)18-10-8-7-9-11-18/h7-15H,1-6H3

InChI Key

QDOANWVBFAYXTC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00218351

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.010

Distribution Coefficient, logD

4.009

Water Solubility, LogSw

-4.13

Polar Surface Area

42.164

Acid Dissociation Constant (pKa)

29.44

Base Dissociation Constant (pKb)

4.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

References: we are preparing a list of scientific research reports with 1431-1866 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1431-1866?
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What is the minimum amount of 1431-1866 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1431-1866
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1431-1866
  • 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 1431-1866 available by request