F602-0093 Screening compound: 3-(4-benzylpiperidine-1-carbonyl)-1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidine

F602-0093 Screening compound: 3-(4-benzylpiperidine-1-carbonyl)-1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidine
F602-0093 Screening compound: 3-(4-benzylpiperidine-1-carbonyl)-1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound F602-0093
3-(4-benzylpiperidine-1-carbonyl)-1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidine

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

F602-0093

Molecular Formula

C25H33N3O2 (C25 H33 N3 O2)

Compound Name

3-(4-benzylpiperidine-1-carbonyl)-1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidine

IUPAC name

3-(4-benzylpiperidine-1-carbonyl)-1-(35-dimethyl-1H-pyrrole-2-carbonyl)piperidine

SMILES

Cc1c(C(N(CCC2)CC2C(N2CCC(Cc3ccccc3)CC2)=O)=O)[nH]c(C)c1

InChI

InChI=1S/C25H33N3O2/c1-18-15-19(2)26-23(18)25(30)28-12-6-9-22(17-28)24(29)27-13-10-21(11-14-27)16-20-7-4-3-5-8-20/h3-5,7-8,15,21-22,26H,6,9-14,16-17H2,1-2H3/t22-/m0/s1

InChI Key

WTFHMAIBPDHURO-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD27178754

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.56

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.861

Distribution Coefficient, logD

3.861

Water Solubility, LogSw

-4.06

Polar Surface Area

43.408

Acid Dissociation Constant (pKa)

15.09

Base Dissociation Constant (pKb)

0.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.00

F602-0093 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)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F602-0093 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F602-0093?
Check Price and Availability of F602-0093, 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 F602-0093 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F602-0093
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F602-0093
  • 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 F602-0093 available by request