F938-0074 Screening compound: N-[2-({3-chloro-1-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-5-yl}sulfanyl)phenyl]-3-methoxybenzamide

F938-0074 Screening compound: N-[2-({3-chloro-1-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-5-yl}sulfanyl)phenyl]-3-methoxybenzamide
F938-0074 Screening compound: N-[2-({3-chloro-1-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-5-yl}sulfanyl)phenyl]-3-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F938-0074
N-[2-({3-chloro-1-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-5-yl}sulfanyl)phenyl]-3-methoxybenzamide

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

F938-0074

Molecular Formula

C23H18ClFN4O2S (C23 H18 ClFN4 O2 S)

Compound Name

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

IUPAC name

N-[2-({3-chloro-1-[(4-fluorophenyl)methyl]-1H-124-triazol-5-yl}sulfanyl)phenyl]-3-methoxybenzamide

SMILES

COc1cccc(C(Nc(cccc2)c2Sc2nc(Cl)nn2Cc(cc2)ccc2F)=O)c1

InChI

InChI=1S/C23H18ClFN4O2S/c1-31-18-6-4-5-16(13-18)21(30)26-19-7-2-3-8-20(19)32-23-27-22(24)28-29(23)14-15-9-11-17(25)12-10-15/h2-13H,14H2,1H3,(H,26,30)

InChI Key

OCBWSBJEWBRTSJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14972763

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.94

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.146

Distribution Coefficient, logD

5.146

Water Solubility, LogSw

-5.63

Polar Surface Area

54.006

Acid Dissociation Constant (pKa)

13.32

Base Dissociation Constant (pKb)

-0.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

F938-0074 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 F938-0074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F938-0074?
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What is the minimum amount of F938-0074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F938-0074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F938-0074
  • 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 F938-0074 available by request