F086-0029 Screening compound: 4-{4-[(butylcarbamoyl)methyl]piperazin-1-yl}-3-(2-chlorobenzamido)benzoic acid

F086-0029 Screening compound: 4-{4-[(butylcarbamoyl)methyl]piperazin-1-yl}-3-(2-chlorobenzamido)benzoic acid
F086-0029 Screening compound: 4-{4-[(butylcarbamoyl)methyl]piperazin-1-yl}-3-(2-chlorobenzamido)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound F086-0029
4-{4-[(butylcarbamoyl)methyl]piperazin-1-yl}-3-(2-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

F086-0029

Molecular Formula

C24H29ClN4O4 (C24 H29 ClN4 O4)

Compound Name

4-{4-[(butylcarbamoyl)methyl]piperazin-1-yl}-3-(2-chlorobenzamido)benzoic acid

IUPAC name

4-{4-[(butylcarbamoyl)methyl]piperazin-1-yl}-3-(2-chlorobenzamido)benzoic acid

SMILES

CCCCNC(CN(CC1)CCN1c(ccc(C(O)=O)c1)c1NC(c(cccc1)c1Cl)=O)=O

InChI

InChI=1S/C24H29ClN4O4/c1-2-3-10-26-22(30)16-28-11-13-29(14-12-28)21-9-8-17(24(32)33)15-20(21)27-23(31)18-6-4-5-7-19(18)25/h4-9,15H,2-3,10-14,16H2,1H3,(H,26,30)(H,27,31)(H,32,33)

InChI Key

GOUBEMKLQCKIMU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14940233

Chemical and Physical Properties

Saltdata

CF3COOH

Molecular Weight

472.97

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

4.284

Distribution Coefficient, logD

2.390

Water Solubility, LogSw

-4.22

Polar Surface Area

82.316

Acid Dissociation Constant (pKa)

5.51

Base Dissociation Constant (pKb)

5.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

F086-0029 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)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F086-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F086-0029?
Check Price and Availability of F086-0029, 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 F086-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F086-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F086-0029
  • 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 F086-0029 available by request