7590-1112 Screening compound: 3-methyl-6-{4-[(3-methylphenyl)methoxy]phenyl}-1-phenyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine

7590-1112 Screening compound: 3-methyl-6-{4-[(3-methylphenyl)methoxy]phenyl}-1-phenyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine
7590-1112 Screening compound: 3-methyl-6-{4-[(3-methylphenyl)methoxy]phenyl}-1-phenyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound 7590-1112
3-methyl-6-{4-[(3-methylphenyl)methoxy]phenyl}-1-phenyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine

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

7590-1112

Molecular Formula

C28H22F3N3O (C28 H22 F3 N3 O)

Compound Name

3-methyl-6-{4-[(3-methylphenyl)methoxy]phenyl}-1-phenyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine

IUPAC name

3-methyl-6-{4-[(3-methylphenyl)methoxy]phenyl}-1-phenyl-4-(trifluoromethyl)-1H-pyrazolo[34-b]pyridine

SMILES

Cc(c1c(C(F)(F)F)cc(-c(cc2)ccc2OCc2cc(C)ccc2)nc11)nn1-c1ccccc1

InChI

InChI=1S/C28H22F3N3O/c1-18-7-6-8-20(15-18)17-35-23-13-11-21(12-14-23)25-16-24(28(29,30)31)26-19(2)33-34(27(26)32-25)22-9-4-3-5-10-22/h3-16H,17H2,1-2H3

InChI Key

IEYWBABSRHLDRL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07125849

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.5

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.759

Distribution Coefficient, logD

7.759

Water Solubility, LogSw

-6.24

Polar Surface Area

30.590

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

3.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

7590-1112 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 7590-1112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7590-1112?
Check Price and Availability of 7590-1112, 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 7590-1112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7590-1112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7590-1112
  • 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 7590-1112 available by request