G008-0169 Screening compound: N-benzyl-1-[(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-7-yl)sulfonyl]piperidine-4-carboxamide

G008-0169 Screening compound: N-benzyl-1-[(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-7-yl)sulfonyl]piperidine-4-carboxamide
G008-0169 Screening compound: N-benzyl-1-[(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-7-yl)sulfonyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G008-0169
N-benzyl-1-[(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-7-yl)sulfonyl]piperidine-4-carboxamide

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

G008-0169

Molecular Formula

C22H25N3O4S2 (C22 H25 N3 O4 S2)

Compound Name

N-benzyl-1-[(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-7-yl)sulfonyl]piperidine-4-carboxamide

IUPAC name

N-benzyl-1-[(4-oxo-2345-tetrahydro-15-benzothiazepin-7-yl)sulfonyl]piperidine-4-carboxamide

SMILES

O=C(C(CC1)CCN1S(c(cc1)cc(N2)c1SCCC2=O)(=O)=O)NCc1ccccc1

InChI

InChI=1S/C22H25N3O4S2/c26-21-10-13-30-20-7-6-18(14-19(20)24-21)31(28,29)25-11-8-17(9-12-25)22(27)23-15-16-4-2-1-3-5-16/h1-7,14,17H,8-13,15H2,(H,23,27)(H,24,26)

InChI Key

IMDCKBBKSVUFOK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14974390

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.59

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.032

Distribution Coefficient, logD

2.032

Water Solubility, LogSw

-2.86

Polar Surface Area

81.515

Acid Dissociation Constant (pKa)

10.62

Base Dissociation Constant (pKb)

-1.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

G008-0169 in Drug Discovery

Included in Screening Libraries

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

CORONAVIRUS Library (20774 compounds)

GPCR Targeted Library (31838 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

PLpro Library (6343 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Hemic and lymphatic
  • Cardiovascular
  • Antiviral
  • Infections
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G008-0169 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G008-0169?
Check Price and Availability of G008-0169, 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 G008-0169 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G008-0169
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G008-0169
  • 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 G008-0169 available by request