F687-0018 Screening compound: 2-(2-chlorobenzamido)-5-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid

F687-0018 Screening compound: 2-(2-chlorobenzamido)-5-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid
F687-0018 Screening compound: 2-(2-chlorobenzamido)-5-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound F687-0018
2-(2-chlorobenzamido)-5-[4-(2-cyanoethyl)piperazin-1-yl]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

F687-0018

Molecular Formula

C21H21ClN4O3 (C21 H21 ClN4 O3)

Compound Name

2-(2-chlorobenzamido)-5-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid

IUPAC name

2-(2-chlorobenzamido)-5-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid

SMILES

N#CCCN(CC1)CCN1c(cc1)cc(C(O)=O)c1NC(c(cccc1)c1Cl)=O

InChI

InChI=1S/C21H21ClN4O3/c22-18-5-2-1-4-16(18)20(27)24-19-7-6-15(14-17(19)21(28)29)26-12-10-25(11-13-26)9-3-8-23/h1-2,4-7,14H,3,9-13H2,(H,24,27)(H,28,29)

InChI Key

ZSEDIJBIOGJACM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27184983

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.88

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.463

Distribution Coefficient, logD

-1.653

Water Solubility, LogSw

-3.29

Polar Surface Area

75.775

Acid Dissociation Constant (pKa)

3.28

Base Dissociation Constant (pKb)

5.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

F687-0018 in Drug Discovery

Included in Screening Libraries

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 F687-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F687-0018?
Check Price and Availability of F687-0018, 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 F687-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F687-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F687-0018
  • 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 F687-0018 available by request