G269-0149 Screening compound: 5-acetyl-N-(2H-1,3-benzodioxol-5-yl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide

G269-0149 Screening compound: 5-acetyl-N-(2H-1,3-benzodioxol-5-yl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
G269-0149 Screening compound: 5-acetyl-N-(2H-1,3-benzodioxol-5-yl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G269-0149
5-acetyl-N-(2H-1,3-benzodioxol-5-yl)-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

G269-0149

Molecular Formula

C18H18N2O5S2 (C18 H18 N2 O5 S2)

Compound Name

5-acetyl-N-(2H-1,3-benzodioxol-5-yl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide

IUPAC name

5-acetyl-N-(2H-13-benzodioxol-5-yl)-2345-tetrahydro-15-benzothiazepine-7-sulfonamide

SMILES

CC(N1c(cc(cc2)S(Nc(cc3)cc4c3OCO4)(=O)=O)c2SCCC1)=O

InChI

InChI=1S/C18H18N2O5S2/c1-12(21)20-7-2-8-26-18-6-4-14(10-15(18)20)27(22,23)19-13-3-5-16-17(9-13)25-11-24-16/h3-6,9-10,19H,2,7-8,11H2,1H3

InChI Key

UDKPLTGIGBCGDP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27212194

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.022

Distribution Coefficient, logD

2.687

Water Solubility, LogSw

-3.58

Polar Surface Area

74.387

Acid Dissociation Constant (pKa)

7.33

Base Dissociation Constant (pKb)

-3.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

G269-0149 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G269-0149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G269-0149?
Check Price and Availability of G269-0149, 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 G269-0149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G269-0149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G269-0149
  • 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 G269-0149 available by request