P734-2702 Screening compound: 2-isobutoxy-1-(morpholinocarbonyl)-7,8,9,10-tetrahydropyrido[1,2-a]azepin-4(6H)-one

P734-2702 Screening compound: 2-isobutoxy-1-(morpholinocarbonyl)-7,8,9,10-tetrahydropyrido[1,2-a]azepin-4(6H)-one
P734-2702 Screening compound: 2-isobutoxy-1-(morpholinocarbonyl)-7,8,9,10-tetrahydropyrido[1,2-a]azepin-4(6H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P734-2702
2-isobutoxy-1-(morpholinocarbonyl)-7,8,9,10-tetrahydropyrido[1,2-a]azepin-4(6H)-one

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

P734-2702

Molecular Formula

C19H28N2O4 (C19 H28 N2 O4)

Compound Name

2-isobutoxy-1-(morpholinocarbonyl)-7,8,9,10-tetrahydropyrido[1,2-a]azepin-4(6H)-one

IUPAC name

2-(2-methylpropoxy)-1-(morpholine-4-carbonyl)-4H6H7H8H9H10H-pyrido[12-a]azepin-4-one

SMILES

CC(C)COC(C(C(N1CCOCC1)=O)=C1N2CCCCC1)=CC2=O

InChI

InChI=1S/C19H28N2O4/c1-14(2)13-25-16-12-17(22)21-7-5-3-4-6-15(21)18(16)19(23)20-8-10-24-11-9-20/h12,14H,3-11,13H2,1-2H3

InChI Key

SXDSZACJLAWXND-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29002200

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.939

Distribution Coefficient, logD

1.939

Water Solubility, LogSw

-1.90

Polar Surface Area

49.078

Acid Dissociation Constant (pKa)

25.60

Base Dissociation Constant (pKb)

-0.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.42

P734-2702 in Drug Discovery

Included in Screening Libraries

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

Ligand-Gated Ion Channels Library (3887 compounds)

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Eye
  • Antiviral
  • Infections
  • Immune system
  • Cancer
Targets:
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P734-2702 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P734-2702?
Check Price and Availability of P734-2702, 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 P734-2702 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P734-2702
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P734-2702
  • 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 P734-2702 available by request