8005-1898 Screening compound: N'-[(E)-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]methylidene]-4-fluorobenzohydrazide

8005-1898 Screening compound: N'-[(E)-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]methylidene]-4-fluorobenzohydrazide
8005-1898 Screening compound: N'-[(E)-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]methylidene]-4-fluorobenzohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-1898
N'-[(E)-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]methylidene]-4-fluorobenzohydrazide

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

8005-1898

Molecular Formula

C21H13FN4O3S2 (C21 H13 FN4 O3 S2)

Compound Name

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

IUPAC name

N'-[(E)-[4-(13-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]methylidene]-4-fluorobenzohydrazide

SMILES

[O-][N+](c(cc(/C=N/NC(c(cc1)ccc1F)=O)cc1)c1Sc1nc(cccc2)c2s1)=O

InChI

InChI=1S/C21H13FN4O3S2/c22-15-8-6-14(7-9-15)20(27)25-23-12-13-5-10-19(17(11-13)26(28)29)31-21-24-16-3-1-2-4-18(16)30-21/h1-12H,(H,25,27)

InChI Key

CZJIRZBAGNAKDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00747726

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.175

Distribution Coefficient, logD

6.077

Water Solubility, LogSw

-6.17

Polar Surface Area

77.445

Acid Dissociation Constant (pKa)

8.00

Base Dissociation Constant (pKb)

-0.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8005-1898 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8005-1898 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-1898?
Check Price and Availability of 8005-1898, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8005-1898 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-1898
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-1898
  • 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 8005-1898 available by request