F687-0993 Screening compound: 5-{4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl}-2-(3-chlorobenzamido)benzoic acid

F687-0993 Screening compound: 5-{4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl}-2-(3-chlorobenzamido)benzoic acid
F687-0993 Screening compound: 5-{4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl}-2-(3-chlorobenzamido)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound F687-0993
5-{4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl}-2-(3-chlorobenzamido)benzoic 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

F687-0993

Molecular Formula

C26H31ClN4O4 (C26 H31 ClN4 O4)

Compound Name

5-{4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl}-2-(3-chlorobenzamido)benzoic acid

IUPAC name

5-{4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl}-2-(3-chlorobenzamido)benzoic acid

SMILES

OC(c(cc(cc1)N2CCN(CC(N3CCCCCC3)=O)CC2)c1NC(c1cccc(Cl)c1)=O)=O

InChI

InChI=1S/C26H31ClN4O4/c27-20-7-5-6-19(16-20)25(33)28-23-9-8-21(17-22(23)26(34)35)30-14-12-29(13-15-30)18-24(32)31-10-3-1-2-4-11-31/h5-9,16-17H,1-4,10-15,18H2,(H,28,33)(H,34,35)

InChI Key

VITDZCDJDVVAPO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27185646

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.01

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

3.561

Distribution Coefficient, logD

-0.555

Water Solubility, LogSw

-3.90

Polar Surface Area

74.756

Acid Dissociation Constant (pKa)

3.28

Base Dissociation Constant (pKb)

6.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

F687-0993 in Drug Discovery

Included in Screening Libraries

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

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Protein-Protein Interaction Library (218420 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
  • Ion Channels
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with F687-0993 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F687-0993?
Check Price and Availability of F687-0993, 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 F687-0993 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F687-0993
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F687-0993
  • 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 F687-0993 available by request