F345-1138 Screening compound: 4-({[(5-bromo-2-methoxyphenyl)methyl]carbamoyl}methyl)-N-(4-methylphenyl)piperidine-1-carboxamide

F345-1138 Screening compound: 4-({[(5-bromo-2-methoxyphenyl)methyl]carbamoyl}methyl)-N-(4-methylphenyl)piperidine-1-carboxamide
F345-1138 Screening compound: 4-({[(5-bromo-2-methoxyphenyl)methyl]carbamoyl}methyl)-N-(4-methylphenyl)piperidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F345-1138
4-({[(5-bromo-2-methoxyphenyl)methyl]carbamoyl}methyl)-N-(4-methylphenyl)piperidine-1-carboxamide

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

F345-1138

Molecular Formula

C23H28BrN3O3 (C23 H28 BrN3 O3)

Compound Name

4-({[(5-bromo-2-methoxyphenyl)methyl]carbamoyl}methyl)-N-(4-methylphenyl)piperidine-1-carboxamide

IUPAC name

4-({[(5-bromo-2-methoxyphenyl)methyl]carbamoyl}methyl)-N-(4-methylphenyl)piperidine-1-carboxamide

SMILES

Cc(cc1)ccc1NC(N1CCC(CC(NCc(cc(cc2)Br)c2OC)=O)CC1)=O

InChI

InChI=1S/C23H28BrN3O3/c1-16-3-6-20(7-4-16)26-23(29)27-11-9-17(10-12-27)13-22(28)25-15-18-14-19(24)5-8-21(18)30-2/h3-8,14,17H,9-13,15H2,1-2H3,(H,25,28)(H,26,29)

InChI Key

GAACESPAQVLEQM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27117405

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.505

Distribution Coefficient, logD

4.505

Water Solubility, LogSw

-4.38

Polar Surface Area

57.538

Acid Dissociation Constant (pKa)

12.82

Base Dissociation Constant (pKb)

2.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

F345-1138 in Drug Discovery

Included in Screening Libraries

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

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with F345-1138 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F345-1138?
Check Price and Availability of F345-1138, 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 F345-1138 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F345-1138
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F345-1138
  • 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 F345-1138 available by request