P734-2781F Screening compound: 2-(cyclopropylmethoxy)-N-methyl-4-oxo-N-[(pyridin-3-yl)methyl]-4H,6H,7H,8H,9H,10H-pyrido[1,2-a]azepine-1-carboxamide

P734-2781F Screening compound: 2-(cyclopropylmethoxy)-N-methyl-4-oxo-N-[(pyridin-3-yl)methyl]-4H,6H,7H,8H,9H,10H-pyrido[1,2-a]azepine-1-carboxamide
P734-2781F Screening compound: 2-(cyclopropylmethoxy)-N-methyl-4-oxo-N-[(pyridin-3-yl)methyl]-4H,6H,7H,8H,9H,10H-pyrido[1,2-a]azepine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P734-2781F
2-(cyclopropylmethoxy)-N-methyl-4-oxo-N-[(pyridin-3-yl)methyl]-4H,6H,7H,8H,9H,10H-pyrido[1,2-a]azepine-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

P734-2781F

Molecular Formula

C22H27N3O3 (C22 H27 N3 O3)

Compound Name

2-(cyclopropylmethoxy)-N-methyl-4-oxo-N-[(pyridin-3-yl)methyl]-4H,6H,7H,8H,9H,10H-pyrido[1,2-a]azepine-1-carboxamide

IUPAC name

2-(cyclopropylmethoxy)-N-methyl-4-oxo-N-[(pyridin-3-yl)methyl]-4H6H7H8H9H10H-pyrido[12-a]azepine-1-carboxamide

SMILES

CN(Cc1cnccc1)C(C(C(OCC1CC1)=C1)=C(CCCCC2)N2C1=O)=O

InChI

InChI=1S/C22H27N3O3/c1-24(14-17-6-5-10-23-13-17)22(27)21-18-7-3-2-4-11-25(18)20(26)12-19(21)28-15-16-8-9-16/h5-6,10,12-13,16H,2-4,7-9,11,14-15H2,1H3

InChI Key

HCZHZFYGZXGIJG-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.036

Distribution Coefficient, logD

2.036

Water Solubility, LogSw

-1.81

Polar Surface Area

50.441

Acid Dissociation Constant (pKa)

24.87

Base Dissociation Constant (pKb)

3.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with P734-2781F chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P734-2781F?
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What is the minimum amount of P734-2781F you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P734-2781F
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P734-2781F
  • 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 P734-2781F available by request