F938-0153 Screening compound: N-{2-[(1-benzyl-3-bromo-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-2-chlorobenzamide

F938-0153 Screening compound: N-{2-[(1-benzyl-3-bromo-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-2-chlorobenzamide
F938-0153 Screening compound: N-{2-[(1-benzyl-3-bromo-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-2-chlorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F938-0153
N-{2-[(1-benzyl-3-bromo-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-2-chlorobenzamide

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

F938-0153

Molecular Formula

C22H16BrClN4OS (C22 H16 BrClN4 OS)

Compound Name

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

IUPAC name

N-{2-[(1-benzyl-3-bromo-1H-124-triazol-5-yl)sulfanyl]phenyl}-2-chlorobenzamide

SMILES

O=C(c(cccc1)c1Cl)Nc(cccc1)c1Sc1nc(Br)nn1Cc1ccccc1

InChI

InChI=1S/C22H16BrClN4OS/c23-21-26-22(28(27-21)14-15-8-2-1-3-9-15)30-19-13-7-6-12-18(19)25-20(29)16-10-4-5-11-17(16)24/h1-13H,14H2,(H,25,29)

InChI Key

YENNCRCMZPELPS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14972784

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.82

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

5.637

Distribution Coefficient, logD

5.637

Water Solubility, LogSw

-5.84

Polar Surface Area

47.428

Acid Dissociation Constant (pKa)

11.77

Base Dissociation Constant (pKb)

-0.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

F938-0153 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 F938-0153 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F938-0153?
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What is the minimum amount of F938-0153 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F938-0153
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F938-0153
  • 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 F938-0153 available by request