3254-1121 Screening compound: N'-[(E)-(5-bromo-2-fluorophenyl)methylidene]-2-({1-[(4-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)acetohydrazide

3254-1121 Screening compound: N'-[(E)-(5-bromo-2-fluorophenyl)methylidene]-2-({1-[(4-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)acetohydrazide
3254-1121 Screening compound: N'-[(E)-(5-bromo-2-fluorophenyl)methylidene]-2-({1-[(4-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3254-1121
N'-[(E)-(5-bromo-2-fluorophenyl)methylidene]-2-({1-[(4-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)acetohydrazide

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

3254-1121

Molecular Formula

C23H17BrClFN4OS (C23 H17 BrClFN4 OS)

Compound Name

N'-[(E)-(5-bromo-2-fluorophenyl)methylidene]-2-({1-[(4-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)acetohydrazide

IUPAC name

N'-[(E)-(5-bromo-2-fluorophenyl)methylidene]-2-({1-[(4-chlorophenyl)methyl]-1H-13-benzodiazol-2-yl}sulfanyl)acetohydrazide

SMILES

O=C(CSc1nc(cccc2)c2n1Cc(cc1)ccc1Cl)N/N=C/c(cc(cc1)Br)c1F

InChI

InChI=1S/C23H17BrClFN4OS/c24-17-7-10-19(26)16(11-17)12-27-29-22(31)14-32-23-28-20-3-1-2-4-21(20)30(23)13-15-5-8-18(25)9-6-15/h1-12H,13-14H2,(H,29,31)

InChI Key

PJFJDJDWUVCTLW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02077177

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

531.84

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.906

Distribution Coefficient, logD

6.891

Water Solubility, LogSw

-6.52

Polar Surface Area

45.851

Acid Dissociation Constant (pKa)

8.88

Base Dissociation Constant (pKb)

4.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

References: we are preparing a list of scientific research reports with 3254-1121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3254-1121?
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What is the minimum amount of 3254-1121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3254-1121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3254-1121
  • 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 3254-1121 available by request