7590-1133 Screening compound: 6-{4-[(4-fluorophenyl)methoxy]phenyl}-3-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine

7590-1133 Screening compound: 6-{4-[(4-fluorophenyl)methoxy]phenyl}-3-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine
7590-1133 Screening compound: 6-{4-[(4-fluorophenyl)methoxy]phenyl}-3-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound 7590-1133
6-{4-[(4-fluorophenyl)methoxy]phenyl}-3-methyl-1-(4-methylphenyl)-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

7590-1133

Molecular Formula

C28H21F4N3O (C28 H21 F4 N3 O)

Compound Name

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

IUPAC name

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

SMILES

Cc(c(c(C(F)(F)F)c1)c2nc1-c(cc1)ccc1OCc(cc1)ccc1F)nn2-c1ccc(C)cc1

InChI

InChI=1S/C28H21F4N3O/c1-17-3-11-22(12-4-17)35-27-26(18(2)34-35)24(28(30,31)32)15-25(33-27)20-7-13-23(14-8-20)36-16-19-5-9-21(29)10-6-19/h3-15H,16H2,1-2H3

InChI Key

IKJLWHFAGIWOJB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07125863

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.49

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

7.637

Distribution Coefficient, logD

7.637

Water Solubility, LogSw

-6.17

Polar Surface Area

30.590

Acid Dissociation Constant (pKa)

28.37

Base Dissociation Constant (pKb)

3.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

7590-1133 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 7590-1133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7590-1133?
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What is the minimum amount of 7590-1133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7590-1133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7590-1133
  • 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 7590-1133 available by request