3935-1126 Screening compound: 1,5-dimethyl-4-[(Z)-{[3-(5-methylfuran-2-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}amino]-2-phenyl-2,3-dihydro-1H-pyrazol-3-one

3935-1126 Screening compound: 1,5-dimethyl-4-[(Z)-{[3-(5-methylfuran-2-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}amino]-2-phenyl-2,3-dihydro-1H-pyrazol-3-one
3935-1126 Screening compound: 1,5-dimethyl-4-[(Z)-{[3-(5-methylfuran-2-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}amino]-2-phenyl-2,3-dihydro-1H-pyrazol-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3935-1126
1,5-dimethyl-4-[(Z)-{[3-(5-methylfuran-2-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}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

3935-1126

Molecular Formula

C26H23N5O2 (C26 H23 N5 O2)

Compound Name

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

IUPAC name

15-dimethyl-4-[(Z)-{[3-(5-methylfuran-2-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}amino]-2-phenyl-23-dihydro-1H-pyrazol-3-one

SMILES

Cc1ccc(-c(c(/C=N\C(C2=O)=C(C)N(C)N2c2ccccc2)c2)nn2-c2ccccc2)o1

InChI

InChI=1S/C26H23N5O2/c1-18-14-15-23(33-18)25-20(17-30(28-25)21-10-6-4-7-11-21)16-27-24-19(2)29(3)31(26(24)32)22-12-8-5-9-13-22/h4-17H,1-3H3

InChI Key

BGZRRJQGKUCEPS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02928880

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.5

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

3.875

Distribution Coefficient, logD

3.875

Water Solubility, LogSw

-3.92

Polar Surface Area

51.472

Acid Dissociation Constant (pKa)

29.44

Base Dissociation Constant (pKb)

0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

3935-1126 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 3935-1126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3935-1126?
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What is the minimum amount of 3935-1126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3935-1126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3935-1126
  • 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 3935-1126 available by request