C796-1141 Screening compound: N-[(2-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-(thiophen-2-yl)-1H-pyrazole-5-carboxamide

C796-1141 Screening compound: N-[(2-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-(thiophen-2-yl)-1H-pyrazole-5-carboxamide
C796-1141 Screening compound: N-[(2-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-(thiophen-2-yl)-1H-pyrazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C796-1141
N-[(2-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-(thiophen-2-yl)-1H-pyrazole-5-carboxamide

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

C796-1141

Molecular Formula

C22H17F2N3OS (C22 H17 F2 N3 OS)

Compound Name

N-[(2-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-(thiophen-2-yl)-1H-pyrazole-5-carboxamide

IUPAC name

N-[(2-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-(thiophen-2-yl)-1H-pyrazole-5-carboxamide

SMILES

O=C(c1cc(-c2cccs2)nn1Cc(cc1)ccc1F)NCc(cccc1)c1F

InChI

InChI=1S/C22H17F2N3OS/c23-17-9-7-15(8-10-17)14-27-20(12-19(26-27)21-6-3-11-29-21)22(28)25-13-16-4-1-2-5-18(16)24/h1-12H,13-14H2,(H,25,28)

InChI Key

BJHJOJQJTSBHJC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14797724

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.46

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.906

Distribution Coefficient, logD

4.906

Water Solubility, LogSw

-4.90

Polar Surface Area

38.357

Acid Dissociation Constant (pKa)

12.59

Base Dissociation Constant (pKb)

-0.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with C796-1141 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C796-1141?
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What is the minimum amount of C796-1141 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C796-1141
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C796-1141
  • 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 C796-1141 available by request