P970-0431 Screening compound: N-[(4-methyloxan-4-yl)methyl]isoquinoline-1-carboxamide

P970-0431 Screening compound: N-[(4-methyloxan-4-yl)methyl]isoquinoline-1-carboxamide
P970-0431 Screening compound: N-[(4-methyloxan-4-yl)methyl]isoquinoline-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P970-0431
N-[(4-methyloxan-4-yl)methyl]isoquinoline-1-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

P970-0431

Molecular Formula

C17H20N2O2 (C17 H20 N2 O2)

Compound Name

N-[(4-methyloxan-4-yl)methyl]isoquinoline-1-carboxamide

IUPAC name

N-[(4-methyloxan-4-yl)methyl]isoquinoline-1-carboxamide

SMILES

CC1(CNC(c2nccc3ccccc23)=O)CCOCC1

InChI

InChI=1S/C17H20N2O2/c1-17(7-10-21-11-8-17)12-19-16(20)15-14-5-3-2-4-13(14)6-9-18-15/h2-6,9H,7-8,10-12H2,1H3,(H,19,20)

InChI Key

QAEQSVANSIACKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30462211

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

284.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.396

Distribution Coefficient, logD

2.396

Water Solubility, LogSw

-2.81

Polar Surface Area

42.299

Acid Dissociation Constant (pKa)

16.07

Base Dissociation Constant (pKb)

2.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.18

P970-0431 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with P970-0431 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P970-0431?
Check Price and Availability of P970-0431, 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 P970-0431 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P970-0431
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P970-0431
  • 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 P970-0431 available by request