G786-0310 Screening compound: N-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-2-(ethylsulfanyl)benzamide

G786-0310 Screening compound: N-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-2-(ethylsulfanyl)benzamide
G786-0310 Screening compound: N-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-2-(ethylsulfanyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-0310
N-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-2-(ethylsulfanyl)benzamide

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

G786-0310

Molecular Formula

C22H18N2O2S2 (C22 H18 N2 O2 S2)

Compound Name

N-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-2-(ethylsulfanyl)benzamide

IUPAC name

N-[4-(13-benzothiazol-2-yl)-3-hydroxyphenyl]-2-(ethylsulfanyl)benzamide

SMILES

CCSc(cccc1)c1C(Nc(cc1)cc(O)c1-c1nc(cccc2)c2s1)=O

InChI

InChI=1S/C22H18N2O2S2/c1-2-27-19-9-5-3-7-16(19)21(26)23-14-11-12-15(18(25)13-14)22-24-17-8-4-6-10-20(17)28-22/h3-13,25H,2H2,1H3,(H,23,26)

InChI Key

PPUHDSHPYLHLBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07648476

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.964

Distribution Coefficient, logD

5.957

Water Solubility, LogSw

-5.14

Polar Surface Area

49.327

Acid Dissociation Constant (pKa)

9.17

Base Dissociation Constant (pKb)

0.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

G786-0310 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Cardiovascular Library (22201 compounds)

Hsp90-Targeted Library (11355 compounds)

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with G786-0310 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-0310?
Check Price and Availability of G786-0310, 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 G786-0310 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-0310
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-0310
  • 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 G786-0310 available by request