G008-2696 Screening compound: ethyl 4-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamido)piperidine-1-carboxylate

G008-2696 Screening compound: ethyl 4-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamido)piperidine-1-carboxylate
G008-2696 Screening compound: ethyl 4-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamido)piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G008-2696
ethyl 4-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamido)piperidine-1-carboxylate

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

G008-2696

Molecular Formula

C17H23N3O5S2 (C17 H23 N3 O5 S2)

Compound Name

ethyl 4-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamido)piperidine-1-carboxylate

IUPAC name

ethyl 4-(4-oxo-2345-tetrahydro-15-benzothiazepine-7-sulfonamido)piperidine-1-carboxylate

SMILES

CCOC(N(CC1)CCC1NS(c(cc1)cc(N2)c1SCCC2=O)(=O)=O)=O

InChI

InChI=1S/C17H23N3O5S2/c1-2-25-17(22)20-8-5-12(6-9-20)19-27(23,24)13-3-4-15-14(11-13)18-16(21)7-10-26-15/h3-4,11-12,19H,2,5-10H2,1H3,(H,18,21)

InChI Key

VGOXIXYEBOFNOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14975465

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.52

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.839

Distribution Coefficient, logD

1.838

Water Solubility, LogSw

-2.70

Polar Surface Area

89.867

Acid Dissociation Constant (pKa)

10.62

Base Dissociation Constant (pKb)

0.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.90

G008-2696 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Anti-HIV1 Library (19540 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases
  • GPCR
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with G008-2696 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G008-2696?
Check Price and Availability of G008-2696, 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 G008-2696 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G008-2696
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G008-2696
  • 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 G008-2696 available by request