G269-0082 Screening compound: 5-acetyl-N-[(2H-1,3-benzodioxol-5-yl)methyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide

G269-0082 Screening compound: 5-acetyl-N-[(2H-1,3-benzodioxol-5-yl)methyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
G269-0082 Screening compound: 5-acetyl-N-[(2H-1,3-benzodioxol-5-yl)methyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G269-0082
5-acetyl-N-[(2H-1,3-benzodioxol-5-yl)methyl]-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

G269-0082

Molecular Formula

C19H20N2O5S2 (C19 H20 N2 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C19H20N2O5S2/c1-13(22)21-7-2-8-27-19-6-4-15(10-16(19)21)28(23,24)20-11-14-3-5-17-18(9-14)26-12-25-17/h3-6,9-10,20H,2,7-8,11-12H2,1H3

InChI Key

PBKWVZZKTMZVCU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14992563

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.064

Distribution Coefficient, logD

3.063

Water Solubility, LogSw

-3.53

Polar Surface Area

75.495

Acid Dissociation Constant (pKa)

10.78

Base Dissociation Constant (pKb)

-3.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

G269-0082 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antimitotic Tubulin Library (17355 compounds)

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

Protein-Protein Interaction Library (218420 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
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G269-0082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G269-0082?
Check Price and Availability of G269-0082, 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 G269-0082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G269-0082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G269-0082
  • 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 G269-0082 available by request