G269-0126 Screening compound: 5-acetyl-N,N-bis(2-methylpropyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide

G269-0126 Screening compound: 5-acetyl-N,N-bis(2-methylpropyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
G269-0126 Screening compound: 5-acetyl-N,N-bis(2-methylpropyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G269-0126
5-acetyl-N,N-bis(2-methylpropyl)-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

G269-0126

Molecular Formula

C19H30N2O3S2 (C19 H30 N2 O3 S2)

Compound Name

5-acetyl-N,N-bis(2-methylpropyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide

IUPAC name

5-acetyl-NN-bis(2-methylpropyl)-2345-tetrahydro-15-benzothiazepine-7-sulfonamide

SMILES

CC(C)CN(CC(C)C)S(c(cc1)cc2c1SCCCN2C(C)=O)(=O)=O

InChI

InChI=1S/C19H30N2O3S2/c1-14(2)12-20(13-15(3)4)26(23,24)17-7-8-19-18(11-17)21(16(5)22)9-6-10-25-19/h7-8,11,14-15H,6,9-10,12-13H2,1-5H3

InChI Key

SZZSGRDZGUKREW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27212176

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.406

Distribution Coefficient, logD

4.406

Water Solubility, LogSw

-4.23

Polar Surface Area

48.269

Acid Dissociation Constant (pKa)

23.05

Base Dissociation Constant (pKb)

-2.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.20

G269-0126 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Anti-HIV1 Library (19540 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G269-0126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G269-0126?
Check Price and Availability of G269-0126, 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 G269-0126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G269-0126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G269-0126
  • 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 G269-0126 available by request