3935-0136 Screening compound: 1,5-dimethyl-2-phenyl-4-[(Z)-{[1-phenyl-3-(pyridin-3-yl)-1H-pyrazol-4-yl]methylidene}amino]-2,3-dihydro-1H-pyrazol-3-one

3935-0136 Screening compound: 1,5-dimethyl-2-phenyl-4-[(Z)-{[1-phenyl-3-(pyridin-3-yl)-1H-pyrazol-4-yl]methylidene}amino]-2,3-dihydro-1H-pyrazol-3-one
3935-0136 Screening compound: 1,5-dimethyl-2-phenyl-4-[(Z)-{[1-phenyl-3-(pyridin-3-yl)-1H-pyrazol-4-yl]methylidene}amino]-2,3-dihydro-1H-pyrazol-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3935-0136
1,5-dimethyl-2-phenyl-4-[(Z)-{[1-phenyl-3-(pyridin-3-yl)-1H-pyrazol-4-yl]methylidene}amino]-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

3935-0136

Molecular Formula

C26H22N6O (C26 H22 N6 O)

Compound Name

1,5-dimethyl-2-phenyl-4-[(Z)-{[1-phenyl-3-(pyridin-3-yl)-1H-pyrazol-4-yl]methylidene}amino]-2,3-dihydro-1H-pyrazol-3-one

IUPAC name

15-dimethyl-2-phenyl-4-[(Z)-{[1-phenyl-3-(pyridin-3-yl)-1H-pyrazol-4-yl]methylidene}amino]-23-dihydro-1H-pyrazol-3-one

SMILES

CC(N(C)N(C1=O)c2ccccc2)=C1/N=C\c1cn(-c2ccccc2)nc1-c1cnccc1

InChI

InChI=1S/C26H22N6O/c1-19-24(26(33)32(30(19)2)23-13-7-4-8-14-23)28-17-21-18-31(22-11-5-3-6-12-22)29-25(21)20-10-9-15-27-16-20/h3-18H,1-2H3

InChI Key

ABGAZWWYOMLILQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02720280

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.869

Distribution Coefficient, logD

2.869

Water Solubility, LogSw

-2.99

Polar Surface Area

52.898

Acid Dissociation Constant (pKa)

29.44

Base Dissociation Constant (pKb)

3.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

3935-0136 in Drug Discovery

Included in Screening Libraries

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

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 3935-0136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3935-0136?
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What is the minimum amount of 3935-0136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3935-0136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3935-0136
  • 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 3935-0136 available by request