4678-0298 Screening compound: (2E)-3-(4-tert-butylphenyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)prop-2-enamide

4678-0298 Screening compound: (2E)-3-(4-tert-butylphenyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)prop-2-enamide
4678-0298 Screening compound: (2E)-3-(4-tert-butylphenyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4678-0298
(2E)-3-(4-tert-butylphenyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)prop-2-enamide

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

4678-0298

Molecular Formula

C24H27N3O2 (C24 H27 N3 O2)

Compound Name

(2E)-3-(4-tert-butylphenyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)prop-2-enamide

IUPAC name

(2E)-3-(4-tert-butylphenyl)-N-(15-dimethyl-3-oxo-2-phenyl-23-dihydro-1H-pyrazol-4-yl)prop-2-enamide

SMILES

CC(C)(C)c1ccc(/C=C/C(NC(C2=O)=C(C)N(C)N2c2ccccc2)=O)cc1

InChI

InChI=1S/C24H27N3O2/c1-17-22(23(29)27(26(17)5)20-9-7-6-8-10-20)25-21(28)16-13-18-11-14-19(15-12-18)24(2,3)4/h6-16H,1-5H3,(H,25,28)

InChI Key

GFGRWGZRXHKTHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01354254

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.133

Distribution Coefficient, logD

4.085

Water Solubility, LogSw

-4.19

Polar Surface Area

43.497

Acid Dissociation Constant (pKa)

8.34

Base Dissociation Constant (pKb)

-8.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

4678-0298 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4678-0298 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4678-0298?
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What is the minimum amount of 4678-0298 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4678-0298
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4678-0298
  • 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 4678-0298 available by request