0906-2937 Screening compound: (E)-N-[4-(1,3-benzothiazol-2-yl)phenyl]-1-(4-nitrophenyl)methanimine

0906-2937 Screening compound: (E)-N-[4-(1,3-benzothiazol-2-yl)phenyl]-1-(4-nitrophenyl)methanimine
0906-2937 Screening compound: (E)-N-[4-(1,3-benzothiazol-2-yl)phenyl]-1-(4-nitrophenyl)methanimine alternative view

Chemical Structure Depiction of ChemDiv screening compound 0906-2937
(E)-N-[4-(1,3-benzothiazol-2-yl)phenyl]-1-(4-nitrophenyl)methanimine

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

0906-2937

Molecular Formula

C20H13N3O2S (C20 H13 N3 O2 S)

Compound Name

(E)-N-[4-(1,3-benzothiazol-2-yl)phenyl]-1-(4-nitrophenyl)methanimine

IUPAC name

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

SMILES

[O-][N+](c1ccc(/C=N/c(cc2)ccc2-c2nc(cccc3)c3s2)cc1)=O

InChI

InChI=1S/C20H13N3O2S/c24-23(25)17-11-5-14(6-12-17)13-21-16-9-7-15(8-10-16)20-22-18-3-1-2-4-19(18)26-20/h1-13H

InChI Key

NHPFSUSXZKBEBJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00363627

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.130

Distribution Coefficient, logD

5.129

Water Solubility, LogSw

-5.58

Polar Surface Area

51.196

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

4.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0906-2937 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 0906-2937 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0906-2937?
Check Price and Availability of 0906-2937, 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 0906-2937 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0906-2937
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0906-2937
  • 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 0906-2937 available by request