8011-5198 Screening compound: 1-(4-isopropoxyphenyl)-N~3~-(4-methylphenyl)-5-oxo-3-pyrrolidinecarboxamide

8011-5198 Screening compound: 1-(4-isopropoxyphenyl)-N~3~-(4-methylphenyl)-5-oxo-3-pyrrolidinecarboxamide
8011-5198 Screening compound: 1-(4-isopropoxyphenyl)-N~3~-(4-methylphenyl)-5-oxo-3-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-5198
1-(4-isopropoxyphenyl)-N~3~-(4-methylphenyl)-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

8011-5198

Molecular Formula

C21H24N2O3 (C21 H24 N2 O3)

Compound Name

1-(4-isopropoxyphenyl)-N~3~-(4-methylphenyl)-5-oxo-3-pyrrolidinecarboxamide

IUPAC name

N-(4-methylphenyl)-5-oxo-1-[4-(propan-2-yloxy)phenyl]pyrrolidine-3-carboxamide

SMILES

CC(C)Oc(cc1)ccc1N(CC(C1)C(Nc2ccc(C)cc2)=O)C1=O

InChI

InChI=1S/C21H24N2O3/c1-14(2)26-19-10-8-18(9-11-19)23-13-16(12-20(23)24)21(25)22-17-6-4-15(3)5-7-17/h4-11,14,16H,12-13H2,1-3H3,(H,22,25)/t16-/m1/s1

InChI Key

DAVYIBBDROGUJF-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD02153118

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.348

Distribution Coefficient, logD

3.348

Water Solubility, LogSw

-3.31

Polar Surface Area

46.882

Acid Dissociation Constant (pKa)

11.27

Base Dissociation Constant (pKb)

-0.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

8011-5198 in Drug Discovery

Included in Screening Libraries

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 8011-5198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-5198?
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What is the minimum amount of 8011-5198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-5198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-5198
  • 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 8011-5198 available by request