8011-4947 Screening compound: 1-(4-ethoxyphenyl)-N~3~-(4-methyl-2-pyridyl)-5-oxo-3-pyrrolidinecarboxamide

8011-4947 Screening compound: 1-(4-ethoxyphenyl)-N~3~-(4-methyl-2-pyridyl)-5-oxo-3-pyrrolidinecarboxamide
8011-4947 Screening compound: 1-(4-ethoxyphenyl)-N~3~-(4-methyl-2-pyridyl)-5-oxo-3-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-4947
1-(4-ethoxyphenyl)-N~3~-(4-methyl-2-pyridyl)-5-oxo-3-pyrrolidinecarboxamide

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

8011-4947

Molecular Formula

C19H21N3O3 (C19 H21 N3 O3)

Compound Name

1-(4-ethoxyphenyl)-N~3~-(4-methyl-2-pyridyl)-5-oxo-3-pyrrolidinecarboxamide

IUPAC name

1-(4-ethoxyphenyl)-N-(4-methylpyridin-2-yl)-5-oxopyrrolidine-3-carboxamide

SMILES

CCOc(cc1)ccc1N(CC(C1)C(Nc2nccc(C)c2)=O)C1=O

InChI

InChI=1S/C19H21N3O3/c1-3-25-16-6-4-15(5-7-16)22-12-14(11-18(22)23)19(24)21-17-10-13(2)8-9-20-17/h4-10,14H,3,11-12H2,1-2H3,(H,20,21,24)/t14-/m1/s1

InChI Key

XQJGKESWJQZBSD-CQSZACIVSA-N

MDL Number (MFCD)

MFCD02029536

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.288

Distribution Coefficient, logD

2.285

Water Solubility, LogSw

-2.82

Polar Surface Area

56.818

Acid Dissociation Constant (pKa)

9.67

Base Dissociation Constant (pKb)

4.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.58

8011-4947 in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8011-4947 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-4947?
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What is the minimum amount of 8011-4947 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-4947
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-4947
  • 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 8011-4947 available by request