F687-0400 Screening compound: 5-(4-{[(4-fluorophenyl)carbamoyl]methyl}piperazin-1-yl)-2-(2-methylpropanamido)benzoic acid

F687-0400 Screening compound: 5-(4-{[(4-fluorophenyl)carbamoyl]methyl}piperazin-1-yl)-2-(2-methylpropanamido)benzoic acid
F687-0400 Screening compound: 5-(4-{[(4-fluorophenyl)carbamoyl]methyl}piperazin-1-yl)-2-(2-methylpropanamido)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound F687-0400
5-(4-{[(4-fluorophenyl)carbamoyl]methyl}piperazin-1-yl)-2-(2-methylpropanamido)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

F687-0400

Molecular Formula

C23H27FN4O4 (C23 H27 FN4 O4)

Compound Name

5-(4-{[(4-fluorophenyl)carbamoyl]methyl}piperazin-1-yl)-2-(2-methylpropanamido)benzoic acid

IUPAC name

5-(4-{[(4-fluorophenyl)carbamoyl]methyl}piperazin-1-yl)-2-(2-methylpropanamido)benzoic acid

SMILES

CC(C)C(Nc(ccc(N1CCN(CC(Nc(cc2)ccc2F)=O)CC1)c1)c1C(O)=O)=O

InChI

InChI=1S/C23H27FN4O4/c1-15(2)22(30)26-20-8-7-18(13-19(20)23(31)32)28-11-9-27(10-12-28)14-21(29)25-17-5-3-16(24)4-6-17/h3-8,13,15H,9-12,14H2,1-2H3,(H,25,29)(H,26,30)(H,31,32)

InChI Key

WPNPNSUFDYHFBM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27185266

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.381

Distribution Coefficient, logD

-0.322

Water Solubility, LogSw

-3.64

Polar Surface Area

81.454

Acid Dissociation Constant (pKa)

3.70

Base Dissociation Constant (pKb)

4.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

F687-0400 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 F687-0400 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F687-0400?
Check Price and Availability of F687-0400, 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 F687-0400 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F687-0400
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F687-0400
  • 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 F687-0400 available by request