F687-1080 Screening compound: 5-{4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl}-2-cyclobutaneamidobenzoic acid

F687-1080 Screening compound: 5-{4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl}-2-cyclobutaneamidobenzoic acid
F687-1080 Screening compound: 5-{4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl}-2-cyclobutaneamidobenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound F687-1080
5-{4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl}-2-cyclobutaneamidobenzoic acid

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

F687-1080

Molecular Formula

C24H34N4O4 (C24 H34 N4 O4)

Compound Name

5-{4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl}-2-cyclobutaneamidobenzoic acid

IUPAC name

5-{4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl}-2-cyclobutaneamidobenzoic acid

SMILES

OC(c(cc(cc1)N2CCN(CC(N3CCCCCC3)=O)CC2)c1NC(C1CCC1)=O)=O

InChI

InChI=1S/C24H34N4O4/c29-22(28-10-3-1-2-4-11-28)17-26-12-14-27(15-13-26)19-8-9-21(20(16-19)24(31)32)25-23(30)18-6-5-7-18/h8-9,16,18H,1-7,10-15,17H2,(H,25,30)(H,31,32)

InChI Key

BDGAVBUCJMGXAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27185712

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.632

Distribution Coefficient, logD

-2.071

Water Solubility, LogSw

-2.43

Polar Surface Area

75.280

Acid Dissociation Constant (pKa)

3.70

Base Dissociation Constant (pKb)

6.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

62.50

F687-1080 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with F687-1080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F687-1080?
Check Price and Availability of F687-1080, 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 F687-1080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F687-1080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F687-1080
  • 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 F687-1080 available by request