8018-3291 Screening compound: 6-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine

8018-3291 Screening compound: 6-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine
8018-3291 Screening compound: 6-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-3291
6-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)-3-methyl-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

8018-3291

Molecular Formula

C21H14Cl2F3N3O (C21 H14 Cl2 F3 N3 O)

Compound Name

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

IUPAC name

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

SMILES

Cc(c(c(C(F)(F)F)c1)c2nc1-c(cc1)cc(Cl)c1Cl)nn2-c(cc1)ccc1OC

InChI

InChI=1S/C21H14Cl2F3N3O/c1-11-19-15(21(24,25)26)10-18(12-3-8-16(22)17(23)9-12)27-20(19)29(28-11)13-4-6-14(30-2)7-5-13/h3-10H,1-2H3

InChI Key

KSAURZBDIYMPNT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07658004

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.26

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.913

Distribution Coefficient, logD

6.913

Water Solubility, LogSw

-6.85

Polar Surface Area

30.906

Acid Dissociation Constant (pKa)

30.73

Base Dissociation Constant (pKb)

3.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

8018-3291 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-3291 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-3291?
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What is the minimum amount of 8018-3291 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-3291
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-3291
  • 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 8018-3291 available by request