D126-0362 Screening compound: 4-(4-fluorophenyl)-3-(2-hydroxy-5-methylphenyl)-5-(prop-2-en-1-yl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

D126-0362 Screening compound: 4-(4-fluorophenyl)-3-(2-hydroxy-5-methylphenyl)-5-(prop-2-en-1-yl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
D126-0362 Screening compound: 4-(4-fluorophenyl)-3-(2-hydroxy-5-methylphenyl)-5-(prop-2-en-1-yl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D126-0362
4-(4-fluorophenyl)-3-(2-hydroxy-5-methylphenyl)-5-(prop-2-en-1-yl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-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

D126-0362

Molecular Formula

C21H18FN3O2 (C21 H18 FN3 O2)

Compound Name

4-(4-fluorophenyl)-3-(2-hydroxy-5-methylphenyl)-5-(prop-2-en-1-yl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

IUPAC name

4-(4-fluorophenyl)-3-(2-hydroxy-5-methylphenyl)-5-(prop-2-en-1-yl)-1H4H5H6H-pyrrolo[34-c]pyrazol-6-one

SMILES

Cc(cc1)cc(-c2n[nH]c3c2C(c(cc2)ccc2F)N(CC=C)C3=O)c1O

InChI

InChI=1S/C21H18FN3O2/c1-3-10-25-20(13-5-7-14(22)8-6-13)17-18(23-24-19(17)21(25)27)15-11-12(2)4-9-16(15)26/h3-9,11,20,26H,1,10H2,2H3,(H,23,24)/t20-/m1/s1

InChI Key

YDMRYAKJXWYKMS-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD08549904

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.630

Distribution Coefficient, logD

4.626

Water Solubility, LogSw

-4.11

Polar Surface Area

56.937

Acid Dissociation Constant (pKa)

9.40

Base Dissociation Constant (pKb)

-3.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

D126-0362 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anticancer Library (62698 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D126-0362 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D126-0362?
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What is the minimum amount of D126-0362 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D126-0362
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D126-0362
  • 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 D126-0362 available by request