Y043-5962 Screening compound: N-[(1S,9aR)octahydro-2H-quinolizin-1-ylmethyl]-5-(3-chloro-4-methoxyphenyl)-1H-pyrazole-4-carboxamide

Y043-5962 Screening compound: N-[(1S,9aR)octahydro-2H-quinolizin-1-ylmethyl]-5-(3-chloro-4-methoxyphenyl)-1H-pyrazole-4-carboxamide
Y043-5962 Screening compound: N-[(1S,9aR)octahydro-2H-quinolizin-1-ylmethyl]-5-(3-chloro-4-methoxyphenyl)-1H-pyrazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-5962
N-[(1S,9aR)octahydro-2H-quinolizin-1-ylmethyl]-5-(3-chloro-4-methoxyphenyl)-1H-pyrazole-4-carboxamide

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

Y043-5962

Molecular Formula

C21H27ClN4O2 (C21 H27 ClN4 O2)

Compound Name

N-[(1S,9aR)octahydro-2H-quinolizin-1-ylmethyl]-5-(3-chloro-4-methoxyphenyl)-1H-pyrazole-4-carboxamide

IUPAC name

N-{[(1S9aR)-octahydro-1H-quinolizin-1-yl]methyl}-5-(3-chloro-4-methoxyphenyl)-1H-pyrazole-4-carboxamide

SMILES

COc(ccc(-c([nH]nc1)c1C(NC[C@@H]1[C@H](CCCC2)N2CCC1)=O)c1)c1Cl

InChI

InChI=1S/C21H27ClN4O2/c1-28-19-8-7-14(11-17(19)22)20-16(13-24-25-20)21(27)23-12-15-5-4-10-26-9-3-2-6-18(15)26/h7-8,11,13,15,18H,2-6,9-10,12H2,1H3,(H,23,27)(H,24,25)/t15-,18+/m1/s1

InChI Key

LNQHBBQGMXBOHP-QAPCUYQASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.92

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.664

Distribution Coefficient, logD

0.226

Water Solubility, LogSw

-3.58

Polar Surface Area

59.823

Acid Dissociation Constant (pKa)

11.38

Base Dissociation Constant (pKb)

9.84

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.38

Y043-5962 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

GABA Library (7115 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Eye
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Ion Channels
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y043-5962 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-5962?
Check Price and Availability of Y043-5962, 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 Y043-5962 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-5962
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-5962
  • 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 Y043-5962 available by request