P700-0873 Screening compound: 1-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-2-{2-methyl-4-[5-(pyridin-4-yl)-1,2,4-oxadiazol-3-yl]-1H-imidazol-1-yl}ethan-1-one

P700-0873 Screening compound: 1-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-2-{2-methyl-4-[5-(pyridin-4-yl)-1,2,4-oxadiazol-3-yl]-1H-imidazol-1-yl}ethan-1-one
P700-0873 Screening compound: 1-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-2-{2-methyl-4-[5-(pyridin-4-yl)-1,2,4-oxadiazol-3-yl]-1H-imidazol-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P700-0873
1-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-2-{2-methyl-4-[5-(pyridin-4-yl)-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

P700-0873

Molecular Formula

C22H20N6O3 (C22 H20 N6 O3)

Compound Name

1-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-2-{2-methyl-4-[5-(pyridin-4-yl)-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-{2-methyl-4-[5-(pyridin-4-yl)-124-oxadiazol-3-yl]-1H-imidazol-1-yl}ethan-1-one

SMILES

Cc1nc(-c2noc(-c3ccncc3)n2)cn1CC(N1c(cc(C)cc2)c2OCC1)=O

InChI

InChI=1S/C22H20N6O3/c1-14-3-4-19-18(11-14)28(9-10-30-19)20(29)13-27-12-17(24-15(27)2)21-25-22(31-26-21)16-5-7-23-8-6-16/h3-8,11-12H,9-10,13H2,1-2H3

InChI Key

RJSZAJLFYKAOLE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27612444

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.170

Distribution Coefficient, logD

2.169

Water Solubility, LogSw

-2.24

Polar Surface Area

75.828

Acid Dissociation Constant (pKa)

15.81

Base Dissociation Constant (pKb)

4.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

P700-0873 in Drug Discovery

Included in Screening Libraries

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

PI3K-Targeted Library (17255 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with P700-0873 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P700-0873?
Check Price and Availability of P700-0873, 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 P700-0873 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P700-0873
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P700-0873
  • 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 P700-0873 available by request