Y042-1036 Screening compound: N~3~-(4-methoxyphenethyl)-2,2-dimethyl-5-oxotetrahydro-3-furancarboxamide

Y042-1036 Screening compound: N~3~-(4-methoxyphenethyl)-2,2-dimethyl-5-oxotetrahydro-3-furancarboxamide
Y042-1036 Screening compound: N~3~-(4-methoxyphenethyl)-2,2-dimethyl-5-oxotetrahydro-3-furancarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-1036
N~3~-(4-methoxyphenethyl)-2,2-dimethyl-5-oxotetrahydro-3-furancarboxamide

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

Y042-1036

Molecular Formula

C16H21NO4 (C16 H21 NO4)

Compound Name

N~3~-(4-methoxyphenethyl)-2,2-dimethyl-5-oxotetrahydro-3-furancarboxamide

IUPAC name

N-[2-(4-methoxyphenyl)ethyl]-22-dimethyl-5-oxooxolane-3-carboxamide

SMILES

CC(C)(C(C1)C(NCCc(cc2)ccc2OC)=O)OC1=O

InChI

InChI=1S/C16H21NO4/c1-16(2)13(10-14(18)21-16)15(19)17-9-8-11-4-6-12(20-3)7-5-11/h4-7,13H,8-10H2,1-3H3,(H,17,19)/t13-/m0/s1

InChI Key

RZRFNKHQIOBICA-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD27961318

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.468

Distribution Coefficient, logD

1.468

Water Solubility, LogSw

-1.79

Polar Surface Area

52.945

Acid Dissociation Constant (pKa)

13.40

Base Dissociation Constant (pKb)

-2.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

Y042-1036 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y042-1036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-1036?
Check Price and Availability of Y042-1036, 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 Y042-1036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-1036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-1036
  • 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 Y042-1036 available by request