G008-1860 Screening compound: 3-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide

G008-1860 Screening compound: 3-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
G008-1860 Screening compound: 3-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G008-1860
3-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-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

G008-1860

Molecular Formula

C17H20N2O3S3 (C17 H20 N2 O3 S3)

Compound Name

3-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide

IUPAC name

3-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]-4-oxo-2345-tetrahydro-15-benzothiazepine-7-sulfonamide

SMILES

CC(CSc(ccc(S(NCCc1c(C)ccs1)(=O)=O)c1)c1N1)C1=O

InChI

InChI=1S/C17H20N2O3S3/c1-11-6-8-23-15(11)5-7-18-25(21,22)13-3-4-16-14(9-13)19-17(20)12(2)10-24-16/h3-4,6,8-9,12,18H,5,7,10H2,1-2H3,(H,19,20)/t12-/m1/s1

InChI Key

GEGWMUDLPGKINC-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD14975013

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.629

Distribution Coefficient, logD

3.629

Water Solubility, LogSw

-3.82

Polar Surface Area

68.065

Acid Dissociation Constant (pKa)

10.37

Base Dissociation Constant (pKb)

-4.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.30

G008-1860 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • GPCR
  • Kinases
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G008-1860 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G008-1860?
Check Price and Availability of G008-1860, 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 G008-1860 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G008-1860
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G008-1860
  • 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 G008-1860 available by request