G841-0061 Screening compound: N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-[butyl(ethyl)sulfamoyl]benzamide

G841-0061 Screening compound: N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-[butyl(ethyl)sulfamoyl]benzamide
G841-0061 Screening compound: N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-[butyl(ethyl)sulfamoyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G841-0061
N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-[butyl(ethyl)sulfamoyl]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

G841-0061

Molecular Formula

C26H27N3O3S2 (C26 H27 N3 O3 S2)

Compound Name

N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-[butyl(ethyl)sulfamoyl]benzamide

IUPAC name

N-[4-(13-benzothiazol-2-yl)phenyl]-4-[butyl(ethyl)sulfamoyl]benzamide

SMILES

CCCCN(CC)S(c(cc1)ccc1C(Nc(cc1)ccc1-c1nc(cccc2)c2s1)=O)(=O)=O

InChI

InChI=1S/C26H27N3O3S2/c1-3-5-18-29(4-2)34(31,32)22-16-12-19(13-17-22)25(30)27-21-14-10-20(11-15-21)26-28-23-8-6-7-9-24(23)33-26/h6-17H,3-5,18H2,1-2H3,(H,27,30)

InChI Key

AACIKYGPLGPCMY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04425203

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.65

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.961

Distribution Coefficient, logD

5.961

Water Solubility, LogSw

-5.48

Polar Surface Area

64.129

Acid Dissociation Constant (pKa)

11.14

Base Dissociation Constant (pKb)

0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

G841-0061 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with G841-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G841-0061?
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What is the minimum amount of G841-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G841-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G841-0061
  • 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 G841-0061 available by request