C795-0663 Screening compound: 2,4-difluoro-N-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methyl}aniline

C795-0663 Screening compound: 2,4-difluoro-N-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methyl}aniline
C795-0663 Screening compound: 2,4-difluoro-N-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methyl}aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound C795-0663
2,4-difluoro-N-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methyl}aniline

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

C795-0663

Molecular Formula

C20H15F2N3S (C20 H15 F2 N3 S)

Compound Name

2,4-difluoro-N-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methyl}aniline

IUPAC name

24-difluoro-N-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methyl}aniline

SMILES

Fc(cc1)cc(F)c1NCc1cn(-c2ccccc2)nc1-c1cccs1

InChI

InChI=1S/C20H15F2N3S/c21-15-8-9-18(17(22)11-15)23-12-14-13-25(16-5-2-1-3-6-16)24-20(14)19-7-4-10-26-19/h1-11,13,23H,12H2

InChI Key

GJDFFHYVHMOXJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14797014

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.42

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.134

Distribution Coefficient, logD

5.134

Water Solubility, LogSw

-5.52

Polar Surface Area

25.426

Acid Dissociation Constant (pKa)

16.53

Base Dissociation Constant (pKb)

0.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

C795-0663 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C795-0663 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C795-0663?
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What is the minimum amount of C795-0663 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C795-0663
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C795-0663
  • 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 C795-0663 available by request