8019-5856 Screening compound: ethyl 4-[6-(4-chlorophenyl)-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl]benzoate

8019-5856 Screening compound: ethyl 4-[6-(4-chlorophenyl)-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl]benzoate
8019-5856 Screening compound: ethyl 4-[6-(4-chlorophenyl)-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-5856
ethyl 4-[6-(4-chlorophenyl)-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl]benzoate

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

8019-5856

Molecular Formula

C23H17ClF3N3O2 (C23 H17 ClF3 N3 O2)

Compound Name

ethyl 4-[6-(4-chlorophenyl)-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl]benzoate

IUPAC name

ethyl 4-[6-(4-chlorophenyl)-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[34-b]pyridin-1-yl]benzoate

SMILES

CCOC(c(cc1)ccc1-n1nc(C)c(c(C(F)(F)F)c2)c1nc2-c(cc1)ccc1Cl)=O

InChI

InChI=1S/C23H17ClF3N3O2/c1-3-32-22(31)15-6-10-17(11-7-15)30-21-20(13(2)29-30)18(23(25,26)27)12-19(28-21)14-4-8-16(24)9-5-14/h4-12H,3H2,1-2H3

InChI Key

DXMOWWBUVIBWML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10038390

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.85

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.966

Distribution Coefficient, logD

6.966

Water Solubility, LogSw

-6.34

Polar Surface Area

44.116

Acid Dissociation Constant (pKa)

30.16

Base Dissociation Constant (pKb)

3.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

8019-5856 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 8019-5856 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-5856?
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What is the minimum amount of 8019-5856 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-5856
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-5856
  • 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 8019-5856 available by request