M564-1135 Screening compound: 4-(5-amino-4-isopropyl-3-isoxazolyl)-N~1~-benzyltetrahydro-1(2H)-pyridinecarboxamide

M564-1135 Screening compound: 4-(5-amino-4-isopropyl-3-isoxazolyl)-N~1~-benzyltetrahydro-1(2H)-pyridinecarboxamide
M564-1135 Screening compound: 4-(5-amino-4-isopropyl-3-isoxazolyl)-N~1~-benzyltetrahydro-1(2H)-pyridinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M564-1135
4-(5-amino-4-isopropyl-3-isoxazolyl)-N~1~-benzyltetrahydro-1(2H)-pyridinecarboxamide

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

M564-1135

Molecular Formula

C19H26N4O2 (C19 H26 N4 O2)

Compound Name

4-(5-amino-4-isopropyl-3-isoxazolyl)-N~1~-benzyltetrahydro-1(2H)-pyridinecarboxamide

IUPAC name

n/a

SMILES

CC(C)c1c(N)onc1C(CC1)CCN1C(NCc1ccccc1)=O

InChI

InChI=1S/C19H26N4O2/c1-13(2)16-17(22-25-18(16)20)15-8-10-23(11-9-15)19(24)21-12-14-6-4-3-5-7-14/h3-7,13,15H,8-12,20H2,1-2H3,(H,21,24)

InChI Key

BHLXXXGWICBDMP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29021901

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.959

Distribution Coefficient, logD

2.959

Water Solubility, LogSw

-3.13

Polar Surface Area

70.364

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

3.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.40

M564-1135 in Drug Discovery

Included in Screening Libraries

Bromodomain Modulators Library (5801 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with M564-1135 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M564-1135?
Check Price and Availability of M564-1135, 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 M564-1135 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M564-1135
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M564-1135
  • 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 M564-1135 available by request