Y041-6094 Screening compound: N-[(octahydro-1H-quinolizin-1-yl)methyl]-1-(pyrimidin-2-yl)piperidine-3-carboxamide

Y041-6094 Screening compound: N-[(octahydro-1H-quinolizin-1-yl)methyl]-1-(pyrimidin-2-yl)piperidine-3-carboxamide
Y041-6094 Screening compound: N-[(octahydro-1H-quinolizin-1-yl)methyl]-1-(pyrimidin-2-yl)piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-6094
N-[(octahydro-1H-quinolizin-1-yl)methyl]-1-(pyrimidin-2-yl)piperidine-3-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

Y041-6094

Molecular Formula

C20H31N5O (C20 H31 N5 O)

Compound Name

N-[(octahydro-1H-quinolizin-1-yl)methyl]-1-(pyrimidin-2-yl)piperidine-3-carboxamide

IUPAC name

N-[(octahydro-1H-quinolizin-1-yl)methyl]-1-(pyrimidin-2-yl)piperidine-3-carboxamide

SMILES

O=C(C(CCC1)CN1c1ncccn1)NCC1C(CCCC2)N2CCC1

InChI

InChI=1S/C20H31N5O/c26-19(17-7-4-13-25(15-17)20-21-9-5-10-22-20)23-14-16-6-3-12-24-11-2-1-8-18(16)24/h5,9-10,16-18H,1-4,6-8,11-15H2,(H,23,26)

InChI Key

TZKYNUNTCGQBNH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27962677

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.524

Distribution Coefficient, logD

-0.972

Water Solubility, LogSw

-1.85

Polar Surface Area

49.750

Acid Dissociation Constant (pKa)

14.08

Base Dissociation Constant (pKb)

9.89

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

75.00

Y041-6094 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with Y041-6094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-6094?
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What is the minimum amount of Y041-6094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-6094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-6094
  • 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 Y041-6094 available by request