Y041-4331 Screening compound: 2'-cyclopentyl-1'-oxo-2',4'-dihydro-1'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxylic acid

Y041-4331 Screening compound: 2'-cyclopentyl-1'-oxo-2',4'-dihydro-1'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxylic acid
Y041-4331 Screening compound: 2'-cyclopentyl-1'-oxo-2',4'-dihydro-1'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-4331
2'-cyclopentyl-1'-oxo-2',4'-dihydro-1'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-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

Y041-4331

Molecular Formula

C19H23NO3 (C19 H23 NO3)

Compound Name

2'-cyclopentyl-1'-oxo-2',4'-dihydro-1'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxylic acid

IUPAC name

2'-cyclopentyl-1'-oxo-2'4'-dihydro-1'H-spiro[cyclopentane-13'-isoquinoline]-4'-carboxylic acid

SMILES

OC(C(C1(CCCC1)N1C2CCCC2)c(cccc2)c2C1=O)=O

InChI

InChI=1S/C19H23NO3/c21-17-15-10-4-3-9-14(15)16(18(22)23)19(11-5-6-12-19)20(17)13-7-1-2-8-13/h3-4,9-10,13,16H,1-2,5-8,11-12H2,(H,22,23)/t16-/m0/s1

InChI Key

RCGRXQNGMBUCQT-INIZCTEOSA-N

MDL Number (MFCD)

MFCD15730869

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.886

Distribution Coefficient, logD

0.167

Water Solubility, LogSw

-3.34

Polar Surface Area

43.992

Acid Dissociation Constant (pKa)

4.68

Base Dissociation Constant (pKb)

-2.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.90

Y041-4331 in Drug Discovery

Included in Screening Libraries

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

3D-Pharmacophore Based Diversity Library (49813 compounds)

STING Agonist Library (5895 compounds)

Anti-HIV1 Library (19540 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Others
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y041-4331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-4331?
Check Price and Availability of Y041-4331, 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 Y041-4331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-4331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-4331
  • 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 Y041-4331 available by request