F602-0189 Screening compound: 1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)piperidine-3-carboxamide

F602-0189 Screening compound: 1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)piperidine-3-carboxamide
F602-0189 Screening compound: 1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F602-0189
1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)piperidine-3-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

F602-0189

Molecular Formula

C27H38N4O2 (C27 H38 N4 O2)

Compound Name

1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)piperidine-3-carboxamide

IUPAC name

1-(35-dimethyl-1H-pyrrole-2-carbonyl)-N-({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)piperidine-3-carboxamide

SMILES

Cc1c(C(N(CCC2)CC2C(NCC2CCN(Cc3ccc(C)cc3)CC2)=O)=O)[nH]c(C)c1

InChI

InChI=1S/C27H38N4O2/c1-19-6-8-23(9-7-19)17-30-13-10-22(11-14-30)16-28-26(32)24-5-4-12-31(18-24)27(33)25-20(2)15-21(3)29-25/h6-9,15,22,24,29H,4-5,10-14,16-18H2,1-3H3,(H,28,32)/t24-/m0/s1

InChI Key

OESCJVMAXWYSMG-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD27178771

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.62

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.402

Distribution Coefficient, logD

0.681

Water Solubility, LogSw

-3.47

Polar Surface Area

55.177

Acid Dissociation Constant (pKa)

14.08

Base Dissociation Constant (pKb)

10.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.60

F602-0189 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F602-0189 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F602-0189?
Check Price and Availability of F602-0189, 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 F602-0189 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F602-0189
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F602-0189
  • 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 F602-0189 available by request