P700-0048 Screening compound: 1-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-2-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)-1H-imidazol-1-yl]ethan-1-one

P700-0048 Screening compound: 1-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-2-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)-1H-imidazol-1-yl]ethan-1-one
P700-0048 Screening compound: 1-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-2-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)-1H-imidazol-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P700-0048
1-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-2-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)-1H-imidazol-1-yl]ethan-1-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

P700-0048

Molecular Formula

C22H19N5O3 (C22 H19 N5 O3)

Compound Name

1-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-2-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)-1H-imidazol-1-yl]ethan-1-one

IUPAC name

1-(6-methyl-34-dihydro-2H-14-benzoxazin-4-yl)-2-[4-(5-phenyl-124-oxadiazol-3-yl)-1H-imidazol-1-yl]ethan-1-one

SMILES

Cc(cc1)cc2c1OCCN2C(Cn1cnc(-c2noc(-c3ccccc3)n2)c1)=O

InChI

InChI=1S/C22H19N5O3/c1-15-7-8-19-18(11-15)27(9-10-29-19)20(28)13-26-12-17(23-14-26)21-24-22(30-25-21)16-5-3-2-4-6-16/h2-8,11-12,14H,9-10,13H2,1H3

InChI Key

HZVPEUISIJJXKQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27612269

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.212

Distribution Coefficient, logD

3.212

Water Solubility, LogSw

-3.27

Polar Surface Area

66.716

Acid Dissociation Constant (pKa)

16.17

Base Dissociation Constant (pKb)

2.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

P700-0048 in Drug Discovery

Included in Screening Libraries

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

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with P700-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P700-0048?
Check Price and Availability of P700-0048, 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 P700-0048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P700-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P700-0048
  • 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 P700-0048 available by request