G269-0271 Screening compound: 5-acetyl-N-[(5-methyl-1H-1,3-benzodiazol-2-yl)methyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide

G269-0271 Screening compound: 5-acetyl-N-[(5-methyl-1H-1,3-benzodiazol-2-yl)methyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
G269-0271 Screening compound: 5-acetyl-N-[(5-methyl-1H-1,3-benzodiazol-2-yl)methyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G269-0271
5-acetyl-N-[(5-methyl-1H-1,3-benzodiazol-2-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

G269-0271

Molecular Formula

C20H22N4O3S2 (C20 H22 N4 O3 S2)

Compound Name

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

IUPAC name

5-acetyl-N-[(5-methyl-1H-13-benzodiazol-2-yl)methyl]-2345-tetrahydro-15-benzothiazepine-7-sulfonamide

SMILES

CC(N1c(cc(cc2)S(NCc3nc(cc(C)cc4)c4[nH]3)(=O)=O)c2SCCC1)=O

InChI

InChI=1S/C20H22N4O3S2/c1-13-4-6-16-17(10-13)23-20(22-16)12-21-29(26,27)15-5-7-19-18(11-15)24(14(2)25)8-3-9-28-19/h4-7,10-11,21H,3,8-9,12H2,1-2H3,(H,22,23)

InChI Key

KDXWYAPPKBKXIB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27212267

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.428

Distribution Coefficient, logD

3.396

Water Solubility, LogSw

-3.95

Polar Surface Area

78.662

Acid Dissociation Constant (pKa)

8.70

Base Dissociation Constant (pKb)

5.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

G269-0271 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 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
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with G269-0271 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G269-0271?
Check Price and Availability of G269-0271, 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 G269-0271 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G269-0271
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G269-0271
  • 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 G269-0271 available by request