8020-2183 Screening compound: [4-[(4-fluorobenzyl)amino]-2-(trifluoromethyl)-3-pyridyl](phenyl)methanone

8020-2183 Screening compound: [4-[(4-fluorobenzyl)amino]-2-(trifluoromethyl)-3-pyridyl](phenyl)methanone
8020-2183 Screening compound: [4-[(4-fluorobenzyl)amino]-2-(trifluoromethyl)-3-pyridyl](phenyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-2183
[4-[(4-fluorobenzyl)amino]-2-(trifluoromethyl)-3-pyridyl](phenyl)methanone

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

8020-2183

Molecular Formula

C20H14F4N2O (C20 H14 F4 N2 O)

Compound Name

[4-[(4-fluorobenzyl)amino]-2-(trifluoromethyl)-3-pyridyl](phenyl)methanone

IUPAC name

3-benzoyl-N-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)pyridin-4-amine

SMILES

O=C(c1ccccc1)c(c(C(F)(F)F)ncc1)c1NCc(cc1)ccc1F

InChI

InChI=1S/C20H14F4N2O/c21-15-8-6-13(7-9-15)12-26-16-10-11-25-19(20(22,23)24)17(16)18(27)14-4-2-1-3-5-14/h1-11H,12H2,(H,25,26)

InChI Key

KBJWHPMAVGTOPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18075335

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.34

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.188

Distribution Coefficient, logD

4.188

Water Solubility, LogSw

-4.45

Polar Surface Area

33.060

Acid Dissociation Constant (pKa)

13.98

Base Dissociation Constant (pKb)

1.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

8020-2183 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 8020-2183 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-2183?
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What is the minimum amount of 8020-2183 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-2183
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-2183
  • 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 8020-2183 available by request