Y044-4457 Screening compound: N~3~-(7-methoxy-3-quinolyl)-1-(2-pyrimidinyl)-3-piperidinecarboxamide

Y044-4457 Screening compound: N~3~-(7-methoxy-3-quinolyl)-1-(2-pyrimidinyl)-3-piperidinecarboxamide
Y044-4457 Screening compound: N~3~-(7-methoxy-3-quinolyl)-1-(2-pyrimidinyl)-3-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y044-4457
N~3~-(7-methoxy-3-quinolyl)-1-(2-pyrimidinyl)-3-piperidinecarboxamide

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

Y044-4457

Molecular Formula

C20H21N5O2 (C20 H21 N5 O2)

Compound Name

N~3~-(7-methoxy-3-quinolyl)-1-(2-pyrimidinyl)-3-piperidinecarboxamide

IUPAC name

N-(7-methoxyquinolin-3-yl)-1-(pyrimidin-2-yl)piperidine-3-carboxamide

SMILES

COc1ccc(cc(cn2)NC(C(CCC3)CN3c3ncccn3)=O)c2c1

InChI

InChI=1S/C20H21N5O2/c1-27-17-6-5-14-10-16(12-23-18(14)11-17)24-19(26)15-4-2-9-25(13-15)20-21-7-3-8-22-20/h3,5-8,10-12,15H,2,4,9,13H2,1H3,(H,24,26)/t15-/m0/s1

InChI Key

HKEDDXBPPPGJHL-HNNXBMFYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.777

Distribution Coefficient, logD

2.777

Water Solubility, LogSw

-3.13

Polar Surface Area

61.474

Acid Dissociation Constant (pKa)

11.66

Base Dissociation Constant (pKb)

2.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

Y044-4457 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y044-4457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y044-4457?
Check Price and Availability of Y044-4457, 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 Y044-4457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y044-4457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y044-4457
  • 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 Y044-4457 available by request