G017-1678 Screening compound: 7-{[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl}-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one

G017-1678 Screening compound: 7-{[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl}-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one
G017-1678 Screening compound: 7-{[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl}-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G017-1678
7-{[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl}-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one

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

G017-1678

Molecular Formula

C20H22FN3O3S (C20 H22 FN3 O3 S)

Compound Name

7-{[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl}-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one

IUPAC name

7-{[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl}-2345-tetrahydro-1H-1-benzazepin-2-one

SMILES

O=C(CCC1)Nc(cc2)c1cc2S(N(CC1)CCN1c(cc1)ccc1F)(=O)=O

InChI

InChI=1S/C20H22FN3O3S/c21-16-4-6-17(7-5-16)23-10-12-24(13-11-23)28(26,27)18-8-9-19-15(14-18)2-1-3-20(25)22-19/h4-9,14H,1-3,10-13H2,(H,22,25)

InChI Key

BEARBTGPLFJOCW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14977319

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.547

Distribution Coefficient, logD

2.547

Water Solubility, LogSw

-3.08

Polar Surface Area

60.362

Acid Dissociation Constant (pKa)

11.28

Base Dissociation Constant (pKb)

5.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

G017-1678 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

KRAS-Targeted Library (16000 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
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G017-1678 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G017-1678?
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What is the minimum amount of G017-1678 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G017-1678
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G017-1678
  • 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 G017-1678 available by request