8007-6963 Screening compound: N-[2-(methylsulfanyl)-1,3-benzothiazol-6-yl]-N-[(E)-1-(4-nitrophenyl)methylidene]amine

8007-6963 Screening compound: N-[2-(methylsulfanyl)-1,3-benzothiazol-6-yl]-N-[(E)-1-(4-nitrophenyl)methylidene]amine
8007-6963 Screening compound: N-[2-(methylsulfanyl)-1,3-benzothiazol-6-yl]-N-[(E)-1-(4-nitrophenyl)methylidene]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-6963
N-[2-(methylsulfanyl)-1,3-benzothiazol-6-yl]-N-[(E)-1-(4-nitrophenyl)methylidene]amine

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

8007-6963

Molecular Formula

C15H11N3O2S2 (C15 H11 N3 O2 S2)

Compound Name

N-[2-(methylsulfanyl)-1,3-benzothiazol-6-yl]-N-[(E)-1-(4-nitrophenyl)methylidene]amine

IUPAC name

(E)-N-[2-(methylsulfanyl)-13-benzothiazol-6-yl]-1-(4-nitrophenyl)methanimine

SMILES

CSc1nc(ccc(/N=C/c(cc2)ccc2[N+]([O-])=O)c2)c2s1

InChI

InChI=1S/C15H11N3O2S2/c1-21-15-17-13-7-4-11(8-14(13)22-15)16-9-10-2-5-12(6-3-10)18(19)20/h2-9H,1H3

InChI Key

PSZRGVRDQHILQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01304214

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.322

Distribution Coefficient, logD

4.322

Water Solubility, LogSw

-4.52

Polar Surface Area

50.829

Acid Dissociation Constant (pKa)

28.51

Base Dissociation Constant (pKb)

4.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.67

8007-6963 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8007-6963 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-6963?
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What is the minimum amount of 8007-6963 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-6963
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-6963
  • 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 8007-6963 available by request