Y042-3413 Screening compound: 1-(2-furylmethyl)-5-oxo-N-(2-oxo-2H-chromen-6-yl)-3-pyrrolidinecarboxamide

Y042-3413 Screening compound: 1-(2-furylmethyl)-5-oxo-N-(2-oxo-2H-chromen-6-yl)-3-pyrrolidinecarboxamide
Y042-3413 Screening compound: 1-(2-furylmethyl)-5-oxo-N-(2-oxo-2H-chromen-6-yl)-3-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-3413
1-(2-furylmethyl)-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

Y042-3413

Molecular Formula

C19H16N2O5 (C19 H16 N2 O5)

Compound Name

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

IUPAC name

1-[(furan-2-yl)methyl]-5-oxo-N-(2-oxo-2H-chromen-6-yl)pyrrolidine-3-carboxamide

SMILES

O=C(C(C1)CN(Cc2ccco2)C1=O)Nc(cc1)cc(C=C2)c1OC2=O

InChI

InChI=1S/C19H16N2O5/c22-17-9-13(10-21(17)11-15-2-1-7-25-15)19(24)20-14-4-5-16-12(8-14)3-6-18(23)26-16/h1-8,13H,9-11H2,(H,20,24)/t13-/m0/s1

InChI Key

SZWIBBWOSDHPLE-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD12217607

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.35

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.981

Distribution Coefficient, logD

0.981

Water Solubility, LogSw

-2.09

Polar Surface Area

68.681

Acid Dissociation Constant (pKa)

11.29

Base Dissociation Constant (pKb)

-3.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.05

Y042-3413 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 Y042-3413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-3413?
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What is the minimum amount of Y042-3413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-3413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-3413
  • 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 Y042-3413 available by request