8020-4662 Screening compound: 1-phenyl-4-(trifluoromethyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one

8020-4662 Screening compound: 1-phenyl-4-(trifluoromethyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
8020-4662 Screening compound: 1-phenyl-4-(trifluoromethyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-4662
1-phenyl-4-(trifluoromethyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-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

8020-4662

Molecular Formula

C13H10F3N3O (C13 H10 F3 N3 O)

Compound Name

1-phenyl-4-(trifluoromethyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one

IUPAC name

1-phenyl-4-(trifluoromethyl)-1H4H5H6H7H-pyrazolo[34-b]pyridin-6-one

SMILES

O=C(CC1C(F)(F)F)Nc2c1cnn2-c1ccccc1

InChI

InChI=1S/C13H10F3N3O/c14-13(15,16)10-6-11(20)18-12-9(10)7-17-19(12)8-4-2-1-3-5-8/h1-5,7,10H,6H2,(H,18,20)/t10-/m1/s1

InChI Key

SPTDHEQKLRDLEQ-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD25975802

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

281.24

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.514

Distribution Coefficient, logD

2.514

Water Solubility, LogSw

-2.77

Polar Surface Area

39.010

Acid Dissociation Constant (pKa)

12.45

Base Dissociation Constant (pKb)

-2.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.08

8020-4662 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8020-4662 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-4662?
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What is the minimum amount of 8020-4662 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-4662
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-4662
  • 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 8020-4662 available by request