Y020-7853 Screening compound: ethyl 1-[(4-oxo-1,4-dihydroquinazolin-2-yl)methyl]piperidine-3-carboxylate

Y020-7853 Screening compound: ethyl 1-[(4-oxo-1,4-dihydroquinazolin-2-yl)methyl]piperidine-3-carboxylate
Y020-7853 Screening compound: ethyl 1-[(4-oxo-1,4-dihydroquinazolin-2-yl)methyl]piperidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-7853
ethyl 1-[(4-oxo-1,4-dihydroquinazolin-2-yl)methyl]piperidine-3-carboxylate

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

Y020-7853

Molecular Formula

C17H21N3O3 (C17 H21 N3 O3)

Compound Name

ethyl 1-[(4-oxo-1,4-dihydroquinazolin-2-yl)methyl]piperidine-3-carboxylate

IUPAC name

ethyl 1-[(4-oxo-14-dihydroquinazolin-2-yl)methyl]piperidine-3-carboxylate

SMILES

CCOC(C1CN(CC(Nc2c3cccc2)=NC3=O)CCC1)=O

InChI

InChI=1S/C17H21N3O3/c1-2-23-17(22)12-6-5-9-20(10-12)11-15-18-14-8-4-3-7-13(14)16(21)19-15/h3-4,7-8,12H,2,5-6,9-11H2,1H3,(H,18,19,21)/t12-/m0/s1

InChI Key

YVSOOPGOVMMWEG-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD08088300

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.457

Distribution Coefficient, logD

1.388

Water Solubility, LogSw

-2.48

Polar Surface Area

59.592

Acid Dissociation Constant (pKa)

8.17

Base Dissociation Constant (pKb)

4.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.10

Y020-7853 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with Y020-7853 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-7853?
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What is the minimum amount of Y020-7853 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-7853
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-7853
  • 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 Y020-7853 available by request