Y041-7772 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[3-(morpholin-4-yl)-3-oxopropyl]imidazolidine-2,4-dione

Y041-7772 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[3-(morpholin-4-yl)-3-oxopropyl]imidazolidine-2,4-dione
Y041-7772 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[3-(morpholin-4-yl)-3-oxopropyl]imidazolidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-7772
3-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[3-(morpholin-4-yl)-3-oxopropyl]imidazolidine-2,4-dione

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

Y041-7772

Molecular Formula

C18H21N3O6 (C18 H21 N3 O6)

Compound Name

3-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[3-(morpholin-4-yl)-3-oxopropyl]imidazolidine-2,4-dione

IUPAC name

(5S)-3-[(2H-13-benzodioxol-5-yl)methyl]-5-[3-(morpholin-4-yl)-3-oxopropyl]imidazolidine-24-dione

SMILES

O=C(CCC(C(N1Cc(cc2)cc3c2OCO3)=O)NC1=O)N1CCOCC1

InChI

InChI=1S/C18H21N3O6/c22-16(20-5-7-25-8-6-20)4-2-13-17(23)21(18(24)19-13)10-12-1-3-14-15(9-12)27-11-26-14/h1,3,9,13H,2,4-8,10-11H2,(H,19,24)/t13-/m1/s1

InChI Key

FWWKHZQJPIMPDS-CYBMUJFWSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.38

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.344

Distribution Coefficient, logD

0.344

Water Solubility, LogSw

-1.94

Polar Surface Area

83.081

Acid Dissociation Constant (pKa)

11.55

Base Dissociation Constant (pKb)

-0.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

Y041-7772 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with Y041-7772 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-7772?
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What is the minimum amount of Y041-7772 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-7772
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-7772
  • 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 Y041-7772 available by request