4721-2661 Screening compound: 1-(4-butylphenyl)-5-oxopyrrolidine-3-carboxylic acid

4721-2661 Screening compound: 1-(4-butylphenyl)-5-oxopyrrolidine-3-carboxylic acid
4721-2661 Screening compound: 1-(4-butylphenyl)-5-oxopyrrolidine-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4721-2661
1-(4-butylphenyl)-5-oxopyrrolidine-3-carboxylic acid

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

4721-2661

Molecular Formula

C15H19NO3 (C15 H19 NO3)

Compound Name

1-(4-butylphenyl)-5-oxopyrrolidine-3-carboxylic acid

IUPAC name

1-(4-butylphenyl)-5-oxopyrrolidine-3-carboxylic acid

SMILES

CCCCc(cc1)ccc1N(CC(C1)C(O)=O)C1=O

InChI

InChI=1S/C15H19NO3/c1-2-3-4-11-5-7-13(8-6-11)16-10-12(15(18)19)9-14(16)17/h5-8,12H,2-4,9-10H2,1H3,(H,18,19)/t12-/m1/s1

InChI Key

LMCVFDCBQBJVTN-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD00809597

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

261.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.437

Distribution Coefficient, logD

0.076

Water Solubility, LogSw

-2.54

Polar Surface Area

45.396

Acid Dissociation Constant (pKa)

5.04

Base Dissociation Constant (pKb)

-2.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.70

4721-2661 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Cardiovascular Library (22201 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4721-2661 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4721-2661?
Check Price and Availability of 4721-2661, 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 4721-2661 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4721-2661
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4721-2661
  • 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 4721-2661 available by request