F938-0216 Screening compound: N-[2-({3-chloro-1-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-5-yl}sulfanyl)phenyl]-2,6-dimethoxybenzamide

F938-0216 Screening compound: N-[2-({3-chloro-1-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-5-yl}sulfanyl)phenyl]-2,6-dimethoxybenzamide
F938-0216 Screening compound: N-[2-({3-chloro-1-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-5-yl}sulfanyl)phenyl]-2,6-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F938-0216
N-[2-({3-chloro-1-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-5-yl}sulfanyl)phenyl]-2,6-dimethoxybenzamide

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

F938-0216

Molecular Formula

C25H23ClN4O3S (C25 H23 ClN4 O3 S)

Compound Name

N-[2-({3-chloro-1-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-5-yl}sulfanyl)phenyl]-2,6-dimethoxybenzamide

IUPAC name

N-[2-({3-chloro-1-[(4-methylphenyl)methyl]-1H-124-triazol-5-yl}sulfanyl)phenyl]-26-dimethoxybenzamide

SMILES

Cc1ccc(Cn(c(Sc(cccc2)c2NC(c(c(OC)ccc2)c2OC)=O)n2)nc2Cl)cc1

InChI

InChI=1S/C25H23ClN4O3S/c1-16-11-13-17(14-12-16)15-30-25(28-24(26)29-30)34-21-10-5-4-7-18(21)27-23(31)22-19(32-2)8-6-9-20(22)33-3/h4-14H,15H2,1-3H3,(H,27,31)

InChI Key

CSVHDVZPVLIPMO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14972833

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.001

Distribution Coefficient, logD

5.000

Water Solubility, LogSw

-5.23

Polar Surface Area

61.723

Acid Dissociation Constant (pKa)

10.14

Base Dissociation Constant (pKb)

-0.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

F938-0216 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 F938-0216 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F938-0216?
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What is the minimum amount of F938-0216 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F938-0216
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F938-0216
  • 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 F938-0216 available by request