G008-2296 Screening compound: 2-methyl-7-{[4-(pyridin-2-yl)piperazin-1-yl]sulfonyl}-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one

G008-2296 Screening compound: 2-methyl-7-{[4-(pyridin-2-yl)piperazin-1-yl]sulfonyl}-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one
G008-2296 Screening compound: 2-methyl-7-{[4-(pyridin-2-yl)piperazin-1-yl]sulfonyl}-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G008-2296
2-methyl-7-{[4-(pyridin-2-yl)piperazin-1-yl]sulfonyl}-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one

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

G008-2296

Molecular Formula

C19H22N4O3S2 (C19 H22 N4 O3 S2)

Compound Name

2-methyl-7-{[4-(pyridin-2-yl)piperazin-1-yl]sulfonyl}-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one

IUPAC name

2-methyl-7-{[4-(pyridin-2-yl)piperazin-1-yl]sulfonyl}-2345-tetrahydro-15-benzothiazepin-4-one

SMILES

CC(C1)Sc(ccc(S(N(CC2)CCN2c2ncccc2)(=O)=O)c2)c2NC1=O

InChI

InChI=1S/C19H22N4O3S2/c1-14-12-19(24)21-16-13-15(5-6-17(16)27-14)28(25,26)23-10-8-22(9-11-23)18-4-2-3-7-20-18/h2-7,13-14H,8-12H2,1H3,(H,21,24)/t14-/m1/s1

InChI Key

BFZXHJPYIYLVMR-CQSZACIVSA-N

MDL Number (MFCD)

MFCD14975308

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.714

Distribution Coefficient, logD

2.689

Water Solubility, LogSw

-3.43

Polar Surface Area

68.873

Acid Dissociation Constant (pKa)

10.45

Base Dissociation Constant (pKb)

6.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.80

G008-2296 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G008-2296 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G008-2296?
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What is the minimum amount of G008-2296 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G008-2296
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G008-2296
  • 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 G008-2296 available by request