0336-0133 Screening compound: N-[2-(1,3-benzothiazol-2-yl)-4-[(E)-(phenylmethylidene)amino]phenyl]-4-methylbenzene-1-sulfonamide

0336-0133 Screening compound: N-[2-(1,3-benzothiazol-2-yl)-4-[(E)-(phenylmethylidene)amino]phenyl]-4-methylbenzene-1-sulfonamide
0336-0133 Screening compound: N-[2-(1,3-benzothiazol-2-yl)-4-[(E)-(phenylmethylidene)amino]phenyl]-4-methylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0336-0133
N-[2-(1,3-benzothiazol-2-yl)-4-[(E)-(phenylmethylidene)amino]phenyl]-4-methylbenzene-1-sulfonamide

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

0336-0133

Molecular Formula

C27H21N3O2S2 (C27 H21 N3 O2 S2)

Compound Name

N-[2-(1,3-benzothiazol-2-yl)-4-[(E)-(phenylmethylidene)amino]phenyl]-4-methylbenzene-1-sulfonamide

IUPAC name

N-[2-(13-benzothiazol-2-yl)-4-[(E)-(phenylmethylidene)amino]phenyl]-4-methylbenzene-1-sulfonamide

SMILES

Cc(cc1)ccc1S(Nc(ccc(/N=C/c1ccccc1)c1)c1-c1nc(cccc2)c2s1)(=O)=O

InChI

InChI=1S/C27H21N3O2S2/c1-19-11-14-22(15-12-19)34(31,32)30-24-16-13-21(28-18-20-7-3-2-4-8-20)17-23(24)27-29-25-9-5-6-10-26(25)33-27/h2-18,30H,1H3

InChI Key

ZUIQEBQEMHOOBS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00182897

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.460

Distribution Coefficient, logD

6.435

Water Solubility, LogSw

-5.87

Polar Surface Area

57.767

Acid Dissociation Constant (pKa)

8.71

Base Dissociation Constant (pKb)

5.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.70

References: we are preparing a list of scientific research reports with 0336-0133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0336-0133?
Check Price and Availability of 0336-0133, 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 0336-0133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0336-0133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0336-0133
  • 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 0336-0133 available by request