Y021-1869 Screening compound: 3-benzyl-7,7-dimethyl-1-propyl-2,3,4,6,7,8-hexahydro-5(1H)-quinazolinone

Y021-1869 Screening compound: 3-benzyl-7,7-dimethyl-1-propyl-2,3,4,6,7,8-hexahydro-5(1H)-quinazolinone
Y021-1869 Screening compound: 3-benzyl-7,7-dimethyl-1-propyl-2,3,4,6,7,8-hexahydro-5(1H)-quinazolinone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-1869
3-benzyl-7,7-dimethyl-1-propyl-2,3,4,6,7,8-hexahydro-5(1H)-quinazolinone

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

Y021-1869

Molecular Formula

C20H28N2O (C20 H28 N2 O)

Compound Name

3-benzyl-7,7-dimethyl-1-propyl-2,3,4,6,7,8-hexahydro-5(1H)-quinazolinone

IUPAC name

3-benzyl-77-dimethyl-1-propyl-12345678-octahydroquinazolin-5-one

SMILES

CCCN(CN(Cc1ccccc1)C1)C(CC(C)(C)C2)=C1C2=O

InChI

InChI=1S/C20H28N2O/c1-4-10-22-15-21(13-16-8-6-5-7-9-16)14-17-18(22)11-20(2,3)12-19(17)23/h5-9H,4,10-15H2,1-3H3

InChI Key

SVAWTCWICWXEFS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06595644

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

312.46

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.832

Distribution Coefficient, logD

2.389

Water Solubility, LogSw

-3.89

Polar Surface Area

21.115

Acid Dissociation Constant (pKa)

25.12

Base Dissociation Constant (pKb)

8.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.00

Y021-1869 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with Y021-1869 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-1869?
Check Price and Availability of Y021-1869, 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 Y021-1869 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-1869
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-1869
  • 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 Y021-1869 available by request