8004-6018 Screening compound: 2-(1,3-benzothiazol-2-ylsulfanyl)-N'-[(E)-(4-fluorophenyl)methylidene]acetohydrazide

8004-6018 Screening compound: 2-(1,3-benzothiazol-2-ylsulfanyl)-N'-[(E)-(4-fluorophenyl)methylidene]acetohydrazide
8004-6018 Screening compound: 2-(1,3-benzothiazol-2-ylsulfanyl)-N'-[(E)-(4-fluorophenyl)methylidene]acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-6018
2-(1,3-benzothiazol-2-ylsulfanyl)-N'-[(E)-(4-fluorophenyl)methylidene]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

8004-6018

Molecular Formula

C16H12FN3OS2 (C16 H12 FN3 OS2)

Compound Name

2-(1,3-benzothiazol-2-ylsulfanyl)-N'-[(E)-(4-fluorophenyl)methylidene]acetohydrazide

IUPAC name

2-(13-benzothiazol-2-ylsulfanyl)-N'-[(E)-(4-fluorophenyl)methylidene]acetohydrazide

SMILES

O=C(CSc1nc(cccc2)c2s1)N/N=C/c(cc1)ccc1F

InChI

InChI=1S/C16H12FN3OS2/c17-12-7-5-11(6-8-12)9-18-20-15(21)10-22-16-19-13-3-1-2-4-14(13)23-16/h1-9H,10H2,(H,20,21)

InChI Key

ABBFCVLCIVOBIC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00395829

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.052

Distribution Coefficient, logD

4.052

Water Solubility, LogSw

-4.22

Polar Surface Area

44.422

Acid Dissociation Constant (pKa)

10.72

Base Dissociation Constant (pKb)

0.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

References: we are preparing a list of scientific research reports with 8004-6018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-6018?
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What is the minimum amount of 8004-6018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-6018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-6018
  • 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 8004-6018 available by request