G115-0145 Screening compound: N-({1-[(3-chlorophenyl)methyl]piperidin-4-yl}methyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide

G115-0145 Screening compound: N-({1-[(3-chlorophenyl)methyl]piperidin-4-yl}methyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
G115-0145 Screening compound: N-({1-[(3-chlorophenyl)methyl]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 G115-0145
N-({1-[(3-chlorophenyl)methyl]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

G115-0145

Molecular Formula

C22H26ClN3O3S2 (C22 H26 ClN3 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

O=C1Nc(cc(cc2)S(NCC3CCN(Cc4cccc(Cl)c4)CC3)(=O)=O)c2SCC1

InChI

InChI=1S/C22H26ClN3O3S2/c23-18-3-1-2-17(12-18)15-26-9-6-16(7-10-26)14-24-31(28,29)19-4-5-21-20(13-19)25-22(27)8-11-30-21/h1-5,12-13,16,24H,6-11,14-15H2,(H,25,27)

InChI Key

JCIDPJLGUVAKKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14980777

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.05

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.839

Distribution Coefficient, logD

2.440

Water Solubility, LogSw

-4.25

Polar Surface Area

70.881

Acid Dissociation Constant (pKa)

10.62

Base Dissociation Constant (pKb)

8.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

G115-0145 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 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:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Nervous system
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases
  • GPCR
  • Ion Channels
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G115-0145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G115-0145?
Check Price and Availability of G115-0145, 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 G115-0145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G115-0145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G115-0145
  • 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 G115-0145 available by request