G269-0111 Screening compound: 5-acetyl-N-[3-(morpholin-4-yl)propyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide

G269-0111 Screening compound: 5-acetyl-N-[3-(morpholin-4-yl)propyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
G269-0111 Screening compound: 5-acetyl-N-[3-(morpholin-4-yl)propyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G269-0111
5-acetyl-N-[3-(morpholin-4-yl)propyl]-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

G269-0111

Molecular Formula

C18H27N3O4S2 (C18 H27 N3 O4 S2)

Compound Name

5-acetyl-N-[3-(morpholin-4-yl)propyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide

IUPAC name

5-acetyl-N-[3-(morpholin-4-yl)propyl]-2345-tetrahydro-15-benzothiazepine-7-sulfonamide

SMILES

CC(N1c(cc(cc2)S(NCCCN3CCOCC3)(=O)=O)c2SCCC1)=O

InChI

InChI=1S/C18H27N3O4S2/c1-15(22)21-8-3-13-26-18-5-4-16(14-17(18)21)27(23,24)19-6-2-7-20-9-11-25-12-10-20/h4-5,14,19H,2-3,6-13H2,1H3

InChI Key

YQNWWNGHGSLMNI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27212165

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.494

Distribution Coefficient, logD

1.301

Water Solubility, LogSw

-2.54

Polar Surface Area

70.113

Acid Dissociation Constant (pKa)

11.02

Base Dissociation Constant (pKb)

7.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.10

G269-0111 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 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:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G269-0111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G269-0111?
Check Price and Availability of G269-0111, 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 G269-0111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G269-0111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G269-0111
  • 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 G269-0111 available by request