F687-0583 Screening compound: 5-[4-(2-cyanoethyl)piperazin-1-yl]-2-propanamidobenzoic acid

F687-0583 Screening compound: 5-[4-(2-cyanoethyl)piperazin-1-yl]-2-propanamidobenzoic acid
F687-0583 Screening compound: 5-[4-(2-cyanoethyl)piperazin-1-yl]-2-propanamidobenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound F687-0583
5-[4-(2-cyanoethyl)piperazin-1-yl]-2-propanamidobenzoic 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

F687-0583

Molecular Formula

C17H22N4O3 (C17 H22 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

CCC(Nc(ccc(N1CCN(CCC#N)CC1)c1)c1C(O)=O)=O

InChI

InChI=1S/C17H22N4O3/c1-2-16(22)19-15-5-4-13(12-14(15)17(23)24)21-10-8-20(9-11-21)7-3-6-18/h4-5,12H,2-3,7-11H2,1H3,(H,19,22)(H,23,24)

InChI Key

YOYKDCWLGUIMLX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27185379

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.39

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

0.688

Distribution Coefficient, logD

-3.015

Water Solubility, LogSw

-2.30

Polar Surface Area

75.833

Acid Dissociation Constant (pKa)

3.70

Base Dissociation Constant (pKb)

5.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.10

F687-0583 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F687-0583 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F687-0583?
Check Price and Availability of F687-0583, 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 F687-0583 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F687-0583
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F687-0583
  • 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 F687-0583 available by request