F687-0448 Screening compound: 5-{4-[(tert-butylcarbamoyl)methyl]piperazin-1-yl}-2-pentanamidobenzoic acid

F687-0448 Screening compound: 5-{4-[(tert-butylcarbamoyl)methyl]piperazin-1-yl}-2-pentanamidobenzoic acid
F687-0448 Screening compound: 5-{4-[(tert-butylcarbamoyl)methyl]piperazin-1-yl}-2-pentanamidobenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound F687-0448
5-{4-[(tert-butylcarbamoyl)methyl]piperazin-1-yl}-2-pentanamidobenzoic 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

F687-0448

Molecular Formula

C22H34N4O4 (C22 H34 N4 O4)

Compound Name

5-{4-[(tert-butylcarbamoyl)methyl]piperazin-1-yl}-2-pentanamidobenzoic acid

IUPAC name

5-{4-[(tert-butylcarbamoyl)methyl]piperazin-1-yl}-2-pentanamidobenzoic acid

SMILES

CCCCC(Nc(ccc(N1CCN(CC(NC(C)(C)C)=O)CC1)c1)c1C(O)=O)=O

InChI

InChI=1S/C22H34N4O4/c1-5-6-7-19(27)23-18-9-8-16(14-17(18)21(29)30)26-12-10-25(11-13-26)15-20(28)24-22(2,3)4/h8-9,14H,5-7,10-13,15H2,1-4H3,(H,23,27)(H,24,28)(H,29,30)

InChI Key

PYLPHDGRXKQRGT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27185295

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.812

Distribution Coefficient, logD

-0.891

Water Solubility, LogSw

-3.03

Polar Surface Area

81.658

Acid Dissociation Constant (pKa)

3.70

Base Dissociation Constant (pKb)

5.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

59.10

F687-0448 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with F687-0448 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F687-0448?
Check Price and Availability of F687-0448, 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 F687-0448 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F687-0448
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F687-0448
  • 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 F687-0448 available by request