G017-1095 Screening compound: N-[1-(azepan-1-yl)-3-methyl-1-oxobutan-2-yl]-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonamide

G017-1095 Screening compound: N-[1-(azepan-1-yl)-3-methyl-1-oxobutan-2-yl]-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonamide
G017-1095 Screening compound: N-[1-(azepan-1-yl)-3-methyl-1-oxobutan-2-yl]-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G017-1095
N-[1-(azepan-1-yl)-3-methyl-1-oxobutan-2-yl]-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-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

G017-1095

Molecular Formula

C21H31N3O4S (C21 H31 N3 O4 S)

Compound Name

N-[1-(azepan-1-yl)-3-methyl-1-oxobutan-2-yl]-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonamide

IUPAC name

N-[1-(azepan-1-yl)-3-methyl-1-oxobutan-2-yl]-2-oxo-2345-tetrahydro-1H-1-benzazepine-7-sulfonamide

SMILES

CC(C)C(C(N1CCCCCC1)=O)NS(c(cc1)cc(CCC2)c1NC2=O)(=O)=O

InChI

InChI=1S/C21H31N3O4S/c1-15(2)20(21(26)24-12-5-3-4-6-13-24)23-29(27,28)17-10-11-18-16(14-17)8-7-9-19(25)22-18/h10-11,14-15,20,23H,3-9,12-13H2,1-2H3,(H,22,25)/t20-/m0/s1

InChI Key

XGLZZQVOXIILFP-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14977262

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.474

Distribution Coefficient, logD

2.473

Water Solubility, LogSw

-3.05

Polar Surface Area

83.965

Acid Dissociation Constant (pKa)

10.31

Base Dissociation Constant (pKb)

3.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.90

G017-1095 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 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
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G017-1095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G017-1095?
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What is the minimum amount of G017-1095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G017-1095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G017-1095
  • 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 G017-1095 available by request