Y042-2083 Screening compound: 2-(4-methoxyphenyl)-hexahydro-1H-pyrrolo[1,2-c]imidazole-1,3,5-trione

Y042-2083 Screening compound: 2-(4-methoxyphenyl)-hexahydro-1H-pyrrolo[1,2-c]imidazole-1,3,5-trione
Y042-2083 Screening compound: 2-(4-methoxyphenyl)-hexahydro-1H-pyrrolo[1,2-c]imidazole-1,3,5-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-2083
2-(4-methoxyphenyl)-hexahydro-1H-pyrrolo[1,2-c]imidazole-1,3,5-trione

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

Y042-2083

Molecular Formula

C13H12N2O4 (C13 H12 N2 O4)

Compound Name

2-(4-methoxyphenyl)-hexahydro-1H-pyrrolo[1,2-c]imidazole-1,3,5-trione

IUPAC name

2-(4-methoxyphenyl)-hexahydro-1H-pyrrolo[12-c]imidazole-135-trione

SMILES

COc(cc1)ccc1N(C(C(CC1)N2C1=O)=O)C2=O

InChI

InChI=1S/C13H12N2O4/c1-19-9-4-2-8(3-5-9)14-12(17)10-6-7-11(16)15(10)13(14)18/h2-5,10H,6-7H2,1H3/t10-/m1/s1

InChI Key

XFPYIJKSIUVGLJ-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD30835375

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

260.25

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.048

Distribution Coefficient, logD

-0.980

Water Solubility, LogSw

-1.35

Polar Surface Area

53.264

Acid Dissociation Constant (pKa)

6.41

Base Dissociation Constant (pKb)

-4.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.77

Y042-2083 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with Y042-2083 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-2083?
Check Price and Availability of Y042-2083, 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 Y042-2083 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-2083
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-2083
  • 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 Y042-2083 available by request