F345-1198 Screening compound: methyl 4-{[4-({[(2-methylphenyl)methyl]carbamoyl}methyl)piperidine-1-carbonyl]amino}benzoate

F345-1198 Screening compound: methyl 4-{[4-({[(2-methylphenyl)methyl]carbamoyl}methyl)piperidine-1-carbonyl]amino}benzoate
F345-1198 Screening compound: methyl 4-{[4-({[(2-methylphenyl)methyl]carbamoyl}methyl)piperidine-1-carbonyl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F345-1198
methyl 4-{[4-({[(2-methylphenyl)methyl]carbamoyl}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

F345-1198

Molecular Formula

C24H29N3O4 (C24 H29 N3 O4)

Compound Name

methyl 4-{[4-({[(2-methylphenyl)methyl]carbamoyl}methyl)piperidine-1-carbonyl]amino}benzoate

IUPAC name

methyl 4-{[4-({[(2-methylphenyl)methyl]carbamoyl}methyl)piperidine-1-carbonyl]amino}benzoate

SMILES

Cc1c(CNC(CC(CC2)CCN2C(Nc(cc2)ccc2C(OC)=O)=O)=O)cccc1

InChI

InChI=1S/C24H29N3O4/c1-17-5-3-4-6-20(17)16-25-22(28)15-18-11-13-27(14-12-18)24(30)26-21-9-7-19(8-10-21)23(29)31-2/h3-10,18H,11-16H2,1-2H3,(H,25,28)(H,26,30)

InChI Key

SLVCIKNHEZGARZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27117420

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.51

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

4.167

Distribution Coefficient, logD

4.167

Water Solubility, LogSw

-4.22

Polar Surface Area

71.081

Acid Dissociation Constant (pKa)

12.11

Base Dissociation Constant (pKb)

-0.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

F345-1198 in Drug Discovery

Included in Screening Libraries

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
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 F345-1198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F345-1198?
Check Price and Availability of F345-1198, 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 F345-1198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F345-1198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F345-1198
  • 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 F345-1198 available by request