G269-0192 Screening compound: 5-acetyl-N-[2-(4-sulfamoylphenyl)ethyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide

G269-0192 Screening compound: 5-acetyl-N-[2-(4-sulfamoylphenyl)ethyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
G269-0192 Screening compound: 5-acetyl-N-[2-(4-sulfamoylphenyl)ethyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G269-0192
5-acetyl-N-[2-(4-sulfamoylphenyl)ethyl]-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

G269-0192

Molecular Formula

C19H23N3O5S3 (C19 H23 N3 O5 S3)

Compound Name

5-acetyl-N-[2-(4-sulfamoylphenyl)ethyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide

IUPAC name

5-acetyl-N-[2-(4-sulfamoylphenyl)ethyl]-2345-tetrahydro-15-benzothiazepine-7-sulfonamide

SMILES

CC(N1c(cc(cc2)S(NCCc(cc3)ccc3S(N)(=O)=O)(=O)=O)c2SCCC1)=O

InChI

InChI=1S/C19H23N3O5S3/c1-14(23)22-11-2-12-28-19-8-7-17(13-18(19)22)30(26,27)21-10-9-15-3-5-16(6-4-15)29(20,24)25/h3-8,13,21H,2,9-12H2,1H3,(H2,20,24,25)

InChI Key

KWVRGCMVBRAMJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27212223

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.61

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.677

Distribution Coefficient, logD

1.676

Water Solubility, LogSw

-2.55

Polar Surface Area

108.825

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

-3.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

G269-0192 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G269-0192 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G269-0192?
Check Price and Availability of G269-0192, 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 G269-0192 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G269-0192
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G269-0192
  • 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 G269-0192 available by request