G008-2839 Screening compound: N-({1-[2-(3-methoxyphenyl)ethyl]piperidin-4-yl}methyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide

G008-2839 Screening compound: N-({1-[2-(3-methoxyphenyl)ethyl]piperidin-4-yl}methyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
G008-2839 Screening compound: N-({1-[2-(3-methoxyphenyl)ethyl]piperidin-4-yl}methyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G008-2839
N-({1-[2-(3-methoxyphenyl)ethyl]piperidin-4-yl}methyl)-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

G008-2839

Molecular Formula

C24H31N3O4S2 (C24 H31 N3 O4 S2)

Compound Name

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

IUPAC name

N-({1-[2-(3-methoxyphenyl)ethyl]piperidin-4-yl}methyl)-4-oxo-2345-tetrahydro-15-benzothiazepine-7-sulfonamide

SMILES

COc1cccc(CCN2CCC(CNS(c(cc3)cc(N4)c3SCCC4=O)(=O)=O)CC2)c1

InChI

InChI=1S/C24H31N3O4S2/c1-31-20-4-2-3-18(15-20)7-11-27-12-8-19(9-13-27)17-25-33(29,30)21-5-6-23-22(16-21)26-24(28)10-14-32-23/h2-6,15-16,19,25H,7-14,17H2,1H3,(H,26,28)

InChI Key

YLIILXUERMVTEK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14975515

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.66

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.439

Distribution Coefficient, logD

1.643

Water Solubility, LogSw

-3.96

Polar Surface Area

78.403

Acid Dissociation Constant (pKa)

10.62

Base Dissociation Constant (pKb)

9.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.80

G008-2839 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G008-2839 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G008-2839?
Check Price and Availability of G008-2839, 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 G008-2839 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G008-2839
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G008-2839
  • 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 G008-2839 available by request