F345-1682 Screening compound: methyl 3-({4-[(benzylcarbamoyl)methyl]piperidine-1-carbonyl}amino)benzoate

F345-1682 Screening compound: methyl 3-({4-[(benzylcarbamoyl)methyl]piperidine-1-carbonyl}amino)benzoate
F345-1682 Screening compound: methyl 3-({4-[(benzylcarbamoyl)methyl]piperidine-1-carbonyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F345-1682
methyl 3-({4-[(benzylcarbamoyl)methyl]piperidine-1-carbonyl}amino)benzoate

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

F345-1682

Molecular Formula

C23H27N3O4 (C23 H27 N3 O4)

Compound Name

methyl 3-({4-[(benzylcarbamoyl)methyl]piperidine-1-carbonyl}amino)benzoate

IUPAC name

methyl 3-({4-[(benzylcarbamoyl)methyl]piperidine-1-carbonyl}amino)benzoate

SMILES

COC(c1cccc(NC(N2CCC(CC(NCc3ccccc3)=O)CC2)=O)c1)=O

InChI

InChI=1S/C23H27N3O4/c1-30-22(28)19-8-5-9-20(15-19)25-23(29)26-12-10-17(11-13-26)14-21(27)24-16-18-6-3-2-4-7-18/h2-9,15,17H,10-14,16H2,1H3,(H,24,27)(H,25,29)

InChI Key

DGLCDTGMNFIREC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27117467

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.460

Distribution Coefficient, logD

3.460

Water Solubility, LogSw

-3.77

Polar Surface Area

71.081

Acid Dissociation Constant (pKa)

12.82

Base Dissociation Constant (pKb)

-0.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

F345-1682 in Drug Discovery

Included in Screening Libraries

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

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with F345-1682 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F345-1682?
Check Price and Availability of F345-1682, 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 F345-1682 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F345-1682
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F345-1682
  • 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 F345-1682 available by request