Y042-4334 Screening compound: 1-isopentyl-5-oxo-N-(2-oxo-2H-chromen-6-yl)-3-pyrrolidinecarboxamide

Y042-4334 Screening compound: 1-isopentyl-5-oxo-N-(2-oxo-2H-chromen-6-yl)-3-pyrrolidinecarboxamide
Y042-4334 Screening compound: 1-isopentyl-5-oxo-N-(2-oxo-2H-chromen-6-yl)-3-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-4334
1-isopentyl-5-oxo-N-(2-oxo-2H-chromen-6-yl)-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

Y042-4334

Molecular Formula

C19H22N2O4 (C19 H22 N2 O4)

Compound Name

1-isopentyl-5-oxo-N-(2-oxo-2H-chromen-6-yl)-3-pyrrolidinecarboxamide

IUPAC name

1-(3-methylbutyl)-5-oxo-N-(2-oxo-2H-chromen-6-yl)pyrrolidine-3-carboxamide

SMILES

CC(C)CCN(CC(C1)C(Nc(cc2)cc(C=C3)c2OC3=O)=O)C1=O

InChI

InChI=1S/C19H22N2O4/c1-12(2)7-8-21-11-14(10-17(21)22)19(24)20-15-4-5-16-13(9-15)3-6-18(23)25-16/h3-6,9,12,14H,7-8,10-11H2,1-2H3,(H,20,24)/t14-/m0/s1

InChI Key

NRNPXTSIXXFVPP-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD13677020

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.662

Distribution Coefficient, logD

1.662

Water Solubility, LogSw

-2.29

Polar Surface Area

61.183

Acid Dissociation Constant (pKa)

11.29

Base Dissociation Constant (pKb)

-0.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

Y042-4334 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 Y042-4334 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-4334?
Check Price and Availability of Y042-4334, 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 Y042-4334 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-4334
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-4334
  • 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 Y042-4334 available by request