G017-1783 Screening compound: N-{2-[(butan-2-yl)[(thiophen-2-yl)methyl]amino]ethyl}-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonamide

G017-1783 Screening compound: N-{2-[(butan-2-yl)[(thiophen-2-yl)methyl]amino]ethyl}-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonamide
G017-1783 Screening compound: N-{2-[(butan-2-yl)[(thiophen-2-yl)methyl]amino]ethyl}-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G017-1783
N-{2-[(butan-2-yl)[(thiophen-2-yl)methyl]amino]ethyl}-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

G017-1783

Molecular Formula

C21H29N3O3S2 (C21 H29 N3 O3 S2)

Compound Name

N-{2-[(butan-2-yl)[(thiophen-2-yl)methyl]amino]ethyl}-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonamide

IUPAC name

N-{2-[(butan-2-yl)[(thiophen-2-yl)methyl]amino]ethyl}-2-oxo-2345-tetrahydro-1H-1-benzazepine-7-sulfonamide

SMILES

CCC(C)N(CCNS(c(cc1)cc(CCC2)c1NC2=O)(=O)=O)Cc1cccs1

InChI

InChI=1S/C21H29N3O3S2/c1-3-16(2)24(15-18-7-5-13-28-18)12-11-22-29(26,27)19-9-10-20-17(14-19)6-4-8-21(25)23-20/h5,7,9-10,13-14,16,22H,3-4,6,8,11-12,15H2,1-2H3,(H,23,25)/t16-/m0/s1

InChI Key

KLPUKTMZSWRADI-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14977378

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.168

Distribution Coefficient, logD

2.925

Water Solubility, LogSw

-3.41

Polar Surface Area

71.190

Acid Dissociation Constant (pKa)

11.28

Base Dissociation Constant (pKb)

7.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.60

G017-1783 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 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
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G017-1783 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G017-1783?
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What is the minimum amount of G017-1783 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G017-1783
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G017-1783
  • 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 G017-1783 available by request