J012-2755 Screening compound: 4-(3-bromo-4-fluorophenyl)-1-(4-fluorophenyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

J012-2755 Screening compound: 4-(3-bromo-4-fluorophenyl)-1-(4-fluorophenyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
J012-2755 Screening compound: 4-(3-bromo-4-fluorophenyl)-1-(4-fluorophenyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J012-2755
4-(3-bromo-4-fluorophenyl)-1-(4-fluorophenyl)-1H,4H,5H,6H,7H-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

J012-2755

Molecular Formula

C18H12BrF2N3O (C18 H12 BrF2 N3 O)

Compound Name

4-(3-bromo-4-fluorophenyl)-1-(4-fluorophenyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

IUPAC name

4-(3-bromo-4-fluorophenyl)-1-(4-fluorophenyl)-1H4H5H6H7H-pyrazolo[34-b]pyridin-6-one

SMILES

O=C(CC1c(cc2)cc(Br)c2F)Nc2c1cnn2-c(cc1)ccc1F

InChI

InChI=1S/C18H12BrF2N3O/c19-15-7-10(1-6-16(15)21)13-8-17(25)23-18-14(13)9-22-24(18)12-4-2-11(20)3-5-12/h1-7,9,13H,8H2,(H,23,25)/t13-/m1/s1

InChI Key

TWIGDJSRXYCWNX-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD27216855

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.21

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

3.976

Distribution Coefficient, logD

3.976

Water Solubility, LogSw

-4.06

Polar Surface Area

38.738

Acid Dissociation Constant (pKa)

12.28

Base Dissociation Constant (pKb)

-2.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.10

J012-2755 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with J012-2755 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J012-2755?
Check Price and Availability of J012-2755, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of J012-2755 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J012-2755
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J012-2755
  • 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 J012-2755 available by request