Y043-6013 Screening compound: N-[(1S,9aR)octahydro-2H-quinolizin-1-ylmethyl]-3-(3-methoxy-5-isoxazolyl)-N-propylpropanamide

Y043-6013 Screening compound: N-[(1S,9aR)octahydro-2H-quinolizin-1-ylmethyl]-3-(3-methoxy-5-isoxazolyl)-N-propylpropanamide
Y043-6013 Screening compound: N-[(1S,9aR)octahydro-2H-quinolizin-1-ylmethyl]-3-(3-methoxy-5-isoxazolyl)-N-propylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-6013
N-[(1S,9aR)octahydro-2H-quinolizin-1-ylmethyl]-3-(3-methoxy-5-isoxazolyl)-N-propylpropanamide

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

Y043-6013

Molecular Formula

C20H33N3O3 (C20 H33 N3 O3)

Compound Name

N-[(1S,9aR)octahydro-2H-quinolizin-1-ylmethyl]-3-(3-methoxy-5-isoxazolyl)-N-propylpropanamide

IUPAC name

N-{[(1S9aR)-octahydro-1H-quinolizin-1-yl]methyl}-3-(3-methoxy-12-oxazol-5-yl)-N-propylpropanamide

SMILES

CCCN(C[C@@H]1[C@H](CCCC2)N2CCC1)C(CCc1cc(OC)no1)=O

InChI

InChI=1S/C20H33N3O3/c1-3-11-23(20(24)10-9-17-14-19(25-2)21-26-17)15-16-7-6-13-22-12-5-4-8-18(16)22/h14,16,18H,3-13,15H2,1-2H3/t16-,18+/m1/s1

InChI Key

IMCLNGYCZPJGEZ-AEFFLSMTSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.481

Distribution Coefficient, logD

0.317

Water Solubility, LogSw

-2.37

Polar Surface Area

47.672

Acid Dissociation Constant (pKa)

23.63

Base Dissociation Constant (pKb)

9.56

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

80.00

Y043-6013 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y043-6013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-6013?
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What is the minimum amount of Y043-6013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-6013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-6013
  • 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 Y043-6013 available by request