Y021-1005 Screening compound: 2-(morpholin-4-yl)-1-{7,7,9-trimethyl-2H,3H,6H,7H-[1,4]dioxino[2,3-g]quinolin-6-yl}ethan-1-one

Y021-1005 Screening compound: 2-(morpholin-4-yl)-1-{7,7,9-trimethyl-2H,3H,6H,7H-[1,4]dioxino[2,3-g]quinolin-6-yl}ethan-1-one
Y021-1005 Screening compound: 2-(morpholin-4-yl)-1-{7,7,9-trimethyl-2H,3H,6H,7H-[1,4]dioxino[2,3-g]quinolin-6-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-1005
2-(morpholin-4-yl)-1-{7,7,9-trimethyl-2H,3H,6H,7H-[1,4]dioxino[2,3-g]quinolin-6-yl}ethan-1-one

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

Y021-1005

Molecular Formula

C20H26N2O4 (C20 H26 N2 O4)

Compound Name

2-(morpholin-4-yl)-1-{7,7,9-trimethyl-2H,3H,6H,7H-[1,4]dioxino[2,3-g]quinolin-6-yl}ethan-1-one

IUPAC name

2-(morpholin-4-yl)-1-{779-trimethyl-2H3H6H7H-[14]dioxino[23-g]quinolin-6-yl}ethan-1-one

SMILES

CC1(C)N(C(CN2CCOCC2)=O)c(cc2OCCOc2c2)c2C(C)=C1

InChI

InChI=1S/C20H26N2O4/c1-14-12-20(2,3)22(19(23)13-21-4-6-24-7-5-21)16-11-18-17(10-15(14)16)25-8-9-26-18/h10-12H,4-9,13H2,1-3H3

InChI Key

LSDRMPGKNZOWBP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30713412

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.397

Distribution Coefficient, logD

1.397

Water Solubility, LogSw

-1.82

Polar Surface Area

41.533

Acid Dissociation Constant (pKa)

23.77

Base Dissociation Constant (pKb)

3.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.00

Y021-1005 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with Y021-1005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-1005?
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What is the minimum amount of Y021-1005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-1005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-1005
  • 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 Y021-1005 available by request