C301-9193 Screening compound: N-[2-({5-bromo-4-[(4-fluorophenyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)phenyl]benzamide

C301-9193 Screening compound: N-[2-({5-bromo-4-[(4-fluorophenyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)phenyl]benzamide
C301-9193 Screening compound: N-[2-({5-bromo-4-[(4-fluorophenyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-9193
N-[2-({5-bromo-4-[(4-fluorophenyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)phenyl]benzamide

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

C301-9193

Molecular Formula

C22H16BrFN4OS (C22 H16 BrFN4 OS)

Compound Name

N-[2-({5-bromo-4-[(4-fluorophenyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)phenyl]benzamide

IUPAC name

N-[2-({5-bromo-4-[(4-fluorophenyl)methyl]-4H-124-triazol-3-yl}sulfanyl)phenyl]benzamide

SMILES

O=C(c1ccccc1)Nc(cccc1)c1Sc(n1Cc(cc2)ccc2F)nnc1Br

InChI

InChI=1S/C22H16BrFN4OS/c23-21-26-27-22(28(21)14-15-10-12-17(24)13-11-15)30-19-9-5-4-8-18(19)25-20(29)16-6-2-1-3-7-16/h1-13H,14H2,(H,25,29)

InChI Key

CDCWNGPBEDRIDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14745843

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.001

Distribution Coefficient, logD

5.001

Water Solubility, LogSw

-4.82

Polar Surface Area

48.234

Acid Dissociation Constant (pKa)

12.71

Base Dissociation Constant (pKb)

-0.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

C301-9193 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C301-9193 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-9193?
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What is the minimum amount of C301-9193 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-9193
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-9193
  • 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 C301-9193 available by request