M576-0180F Screening compound: 1-ethyl-4-(4-methoxyphenyl)-N-[1-(2-pyridyl)ethyl]-1H-pyrrole-2-carboxamide

M576-0180F Screening compound: 1-ethyl-4-(4-methoxyphenyl)-N-[1-(2-pyridyl)ethyl]-1H-pyrrole-2-carboxamide
M576-0180F Screening compound: 1-ethyl-4-(4-methoxyphenyl)-N-[1-(2-pyridyl)ethyl]-1H-pyrrole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M576-0180F
1-ethyl-4-(4-methoxyphenyl)-N-[1-(2-pyridyl)ethyl]-1H-pyrrole-2-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

M576-0180F

Molecular Formula

C21H23N3O2 (C21 H23 N3 O2)

Compound Name

1-ethyl-4-(4-methoxyphenyl)-N-[1-(2-pyridyl)ethyl]-1H-pyrrole-2-carboxamide

IUPAC name

1-ethyl-4-(4-methoxyphenyl)-N-[1-(pyridin-2-yl)ethyl]-1H-pyrrole-2-carboxamide

SMILES

CCn1c(C(NC(C)c2ncccc2)=O)cc(-c(cc2)ccc2OC)c1

InChI

InChI=1S/C21H23N3O2/c1-4-24-14-17(16-8-10-18(26-3)11-9-16)13-20(24)21(25)23-15(2)19-7-5-6-12-22-19/h5-15H,4H2,1-3H3,(H,23,25)/t15-/m0/s1

InChI Key

ABQRUPOTGQRLHS-HNNXBMFYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.277

Distribution Coefficient, logD

3.277

Water Solubility, LogSw

-3.53

Polar Surface Area

41.614

Acid Dissociation Constant (pKa)

12.67

Base Dissociation Constant (pKb)

4.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.81

M576-0180F in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M576-0180F chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M576-0180F?
Check Price and Availability of M576-0180F, 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 M576-0180F you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M576-0180F
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M576-0180F
  • 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 M576-0180F available by request