G008-3416 Screening compound: N-({1-[(3-chlorophenyl)methyl]piperidin-4-yl}methyl)-3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide

G008-3416 Screening compound: N-({1-[(3-chlorophenyl)methyl]piperidin-4-yl}methyl)-3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
G008-3416 Screening compound: N-({1-[(3-chlorophenyl)methyl]piperidin-4-yl}methyl)-3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G008-3416
N-({1-[(3-chlorophenyl)methyl]piperidin-4-yl}methyl)-3-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

G008-3416

Molecular Formula

C23H28ClN3O3S2 (C23 H28 ClN3 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

CC(CSc(ccc(S(NCC1CCN(Cc2cccc(Cl)c2)CC1)(=O)=O)c1)c1N1)C1=O

InChI

InChI=1S/C23H28ClN3O3S2/c1-16-15-31-22-6-5-20(12-21(22)26-23(16)28)32(29,30)25-13-17-7-9-27(10-8-17)14-18-3-2-4-19(24)11-18/h2-6,11-12,16-17,25H,7-10,13-15H2,1H3,(H,26,28)/t16-/m1/s1

InChI Key

QMTLWBVEUCQLLH-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD14975754

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.08

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

4.485

Distribution Coefficient, logD

3.086

Water Solubility, LogSw

-4.39

Polar Surface Area

70.938

Acid Dissociation Constant (pKa)

10.37

Base Dissociation Constant (pKb)

8.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.50

G008-3416 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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:
  • Nervous system
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • GPCR
  • Ion Channels
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G008-3416 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G008-3416?
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What is the minimum amount of G008-3416 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G008-3416
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G008-3416
  • 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 G008-3416 available by request