G841-0085 Screening compound: N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(ethylsulfanyl)benzamide

G841-0085 Screening compound: N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(ethylsulfanyl)benzamide
G841-0085 Screening compound: N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(ethylsulfanyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G841-0085
N-[4-(1,3-benzothiazol-2-yl)phenyl]-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

G841-0085

Molecular Formula

C22H18N2OS2 (C22 H18 N2 OS2)

Compound Name

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

IUPAC name

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

SMILES

CCSc(cccc1)c1C(Nc(cc1)ccc1-c1nc(cccc2)c2s1)=O

InChI

InChI=1S/C22H18N2OS2/c1-2-26-19-9-5-3-7-17(19)21(25)23-16-13-11-15(12-14-16)22-24-18-8-4-6-10-20(18)27-22/h3-14H,2H2,1H3,(H,23,25)

InChI Key

GLMXTUYZIKRMCR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09247267

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.856

Distribution Coefficient, logD

5.856

Water Solubility, LogSw

-5.50

Polar Surface Area

32.779

Acid Dissociation Constant (pKa)

11.34

Base Dissociation Constant (pKb)

0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

G841-0085 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 G841-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G841-0085?
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What is the minimum amount of G841-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G841-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G841-0085
  • 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 G841-0085 available by request