G786-0306 Screening compound: N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-methanesulfonylbenzamide

G786-0306 Screening compound: N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-methanesulfonylbenzamide
G786-0306 Screening compound: N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-methanesulfonylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-0306
N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-methanesulfonylbenzamide

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

G786-0306

Molecular Formula

C21H16N2O3S2 (C21 H16 N2 O3 S2)

Compound Name

N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-methanesulfonylbenzamide

IUPAC name

N-[4-(13-benzothiazol-2-yl)phenyl]-3-methanesulfonylbenzamide

SMILES

CS(c1cc(C(Nc(cc2)ccc2-c2nc(cccc3)c3s2)=O)ccc1)(=O)=O

InChI

InChI=1S/C21H16N2O3S2/c1-28(25,26)17-6-4-5-15(13-17)20(24)22-16-11-9-14(10-12-16)21-23-18-7-2-3-8-19(18)27-21/h2-13H,1H3,(H,22,24)

InChI Key

NESCIJXAXHJTPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07191893

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.698

Distribution Coefficient, logD

3.698

Water Solubility, LogSw

-4.06

Polar Surface Area

62.527

Acid Dissociation Constant (pKa)

11.14

Base Dissociation Constant (pKb)

0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

G786-0306 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with G786-0306 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-0306?
Check Price and Availability of G786-0306, 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 G786-0306 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-0306
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-0306
  • 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 G786-0306 available by request