M564-0463 Screening compound: 3-[1-(isoquinoline-1-carbonyl)piperidin-4-yl]-4-methyl-1,2-oxazol-5-amine

M564-0463 Screening compound: 3-[1-(isoquinoline-1-carbonyl)piperidin-4-yl]-4-methyl-1,2-oxazol-5-amine
M564-0463 Screening compound: 3-[1-(isoquinoline-1-carbonyl)piperidin-4-yl]-4-methyl-1,2-oxazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound M564-0463
3-[1-(isoquinoline-1-carbonyl)piperidin-4-yl]-4-methyl-1,2-oxazol-5-amine

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

M564-0463

Molecular Formula

C19H20N4O2 (C19 H20 N4 O2)

Compound Name

3-[1-(isoquinoline-1-carbonyl)piperidin-4-yl]-4-methyl-1,2-oxazol-5-amine

IUPAC name

3-[1-(isoquinoline-1-carbonyl)piperidin-4-yl]-4-methyl-12-oxazol-5-amine

SMILES

Cc1c(N)onc1C(CC1)CCN1C(c1nccc2ccccc12)=O

InChI

InChI=1S/C19H20N4O2/c1-12-16(22-25-18(12)20)14-7-10-23(11-8-14)19(24)17-15-5-3-2-4-13(15)6-9-21-17/h2-6,9,14H,7-8,10-11,20H2,1H3

InChI Key

CXRFOXHUHLAIAK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29021854

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

336.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.441

Distribution Coefficient, logD

2.441

Water Solubility, LogSw

-2.62

Polar Surface Area

69.768

Acid Dissociation Constant (pKa)

18.17

Base Dissociation Constant (pKb)

1.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

M564-0463 in Drug Discovery

Included in Screening Libraries

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

Bromodomain Modulators Library (5801 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M564-0463 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M564-0463?
Check Price and Availability of M564-0463, 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 M564-0463 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M564-0463
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M564-0463
  • 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 M564-0463 available by request