M474-0427 Screening compound: methyl 4-[(1-cyclohexyl-N-cyclopentylformamido)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

M474-0427 Screening compound: methyl 4-[(1-cyclohexyl-N-cyclopentylformamido)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
M474-0427 Screening compound: methyl 4-[(1-cyclohexyl-N-cyclopentylformamido)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound M474-0427
methyl 4-[(1-cyclohexyl-N-cyclopentylformamido)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

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

M474-0427

Molecular Formula

C21H32N2O3 (C21 H32 N2 O3)

Compound Name

methyl 4-[(1-cyclohexyl-N-cyclopentylformamido)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

IUPAC name

methyl 4-[(1-cyclohexyl-N-cyclopentylformamido)methyl]-35-dimethyl-1H-pyrrole-2-carboxylate

SMILES

Cc1c(C(OC)=O)[nH]c(C)c1CN(C1CCCC1)C(C1CCCCC1)=O

InChI

InChI=1S/C21H32N2O3/c1-14-18(15(2)22-19(14)21(25)26-3)13-23(17-11-7-8-12-17)20(24)16-9-5-4-6-10-16/h16-17,22H,4-13H2,1-3H3

InChI Key

BWTYFMHVYDNHRJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27543951

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.415

Distribution Coefficient, logD

4.415

Water Solubility, LogSw

-4.21

Polar Surface Area

48.136

Acid Dissociation Constant (pKa)

16.39

Base Dissociation Constant (pKb)

-0.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

71.40

M474-0427 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)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 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 M474-0427 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M474-0427?
Check Price and Availability of M474-0427, 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 M474-0427 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M474-0427
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M474-0427
  • 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 M474-0427 available by request