Y042-4052 Screening compound: N-(2-furylmethyl)-1-[4-(morpholinosulfonyl)phenyl]-5-oxo-3-pyrrolidinecarboxamide

Y042-4052 Screening compound: N-(2-furylmethyl)-1-[4-(morpholinosulfonyl)phenyl]-5-oxo-3-pyrrolidinecarboxamide
Y042-4052 Screening compound: N-(2-furylmethyl)-1-[4-(morpholinosulfonyl)phenyl]-5-oxo-3-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-4052
N-(2-furylmethyl)-1-[4-(morpholinosulfonyl)phenyl]-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

Y042-4052

Molecular Formula

C20H23N3O6S (C20 H23 N3 O6 S)

Compound Name

N-(2-furylmethyl)-1-[4-(morpholinosulfonyl)phenyl]-5-oxo-3-pyrrolidinecarboxamide

IUPAC name

N-[(furan-2-yl)methyl]-1-[4-(morpholine-4-sulfonyl)phenyl]-5-oxopyrrolidine-3-carboxamide

SMILES

O=C(C(CC1=O)CN1c(cc1)ccc1S(N1CCOCC1)(=O)=O)NCc1ccco1

InChI

InChI=1S/C20H23N3O6S/c24-19-12-15(20(25)21-13-17-2-1-9-29-17)14-23(19)16-3-5-18(6-4-16)30(26,27)22-7-10-28-11-8-22/h1-6,9,15H,7-8,10-14H2,(H,21,25)/t15-/m1/s1

InChI Key

KWXIVMDUTJTILS-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD13757172

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.49

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.806

Distribution Coefficient, logD

0.806

Water Solubility, LogSw

-2.34

Polar Surface Area

88.770

Acid Dissociation Constant (pKa)

11.70

Base Dissociation Constant (pKb)

-3.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

Y042-4052 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 Y042-4052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-4052?
Check Price and Availability of Y042-4052, 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 Y042-4052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-4052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-4052
  • 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 Y042-4052 available by request