6711-0087 Screening compound: 1-benzyl-3-(4-methoxyphenyl)-6-(4-methylphenyl)-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine

6711-0087 Screening compound: 1-benzyl-3-(4-methoxyphenyl)-6-(4-methylphenyl)-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine
6711-0087 Screening compound: 1-benzyl-3-(4-methoxyphenyl)-6-(4-methylphenyl)-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6711-0087
1-benzyl-3-(4-methoxyphenyl)-6-(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

6711-0087

Molecular Formula

C28H22F3N3O (C28 H22 F3 N3 O)

Compound Name

1-benzyl-3-(4-methoxyphenyl)-6-(4-methylphenyl)-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine

IUPAC name

1-benzyl-3-(4-methoxyphenyl)-6-(4-methylphenyl)-4-(trifluoromethyl)-1H-pyrazolo[34-b]pyridine

SMILES

Cc(cc1)ccc1-c1cc(C(F)(F)F)c(c(-c(cc2)ccc2OC)nn2Cc3ccccc3)c2n1

InChI

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

InChI Key

HKNVXUHDMBWBKP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14711874

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

7.543

Distribution Coefficient, logD

7.543

Water Solubility, LogSw

-6.15

Polar Surface Area

30.692

Acid Dissociation Constant (pKa)

25.47

Base Dissociation Constant (pKb)

3.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

6711-0087 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6711-0087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6711-0087?
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What is the minimum amount of 6711-0087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6711-0087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6711-0087
  • 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 6711-0087 available by request