P667-0158F Screening compound: 1-[5-(5-ISOXAZOLYL)-2,3-DIHYDRO-1H-INDOL-1-YL]-2-(2-METHYLPHENOXY)-1-ETHANONE

P667-0158F Screening compound: 1-[5-(5-ISOXAZOLYL)-2,3-DIHYDRO-1H-INDOL-1-YL]-2-(2-METHYLPHENOXY)-1-ETHANONE
P667-0158F Screening compound: 1-[5-(5-ISOXAZOLYL)-2,3-DIHYDRO-1H-INDOL-1-YL]-2-(2-METHYLPHENOXY)-1-ETHANONE alternative view

Chemical Structure Depiction of ChemDiv screening compound P667-0158F
1-[5-(5-ISOXAZOLYL)-2,3-DIHYDRO-1H-INDOL-1-YL]-2-(2-METHYLPHENOXY)-1-ETHANONE

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

P667-0158F

Molecular Formula

C20H18N2O3 (C20 H18 N2 O3)

Compound Name

1-[5-(5-ISOXAZOLYL)-2,3-DIHYDRO-1H-INDOL-1-YL]-2-(2-METHYLPHENOXY)-1-ETHANONE

IUPAC name

n/a

SMILES

Cc(cccc1)c1OCC(N(CC1)c(cc2)c1cc2-c1ccno1)=O

InChI

InChI=1S/C20H18N2O3/c1-14-4-2-3-5-18(14)24-13-20(23)22-11-9-15-12-16(6-7-17(15)22)19-8-10-21-25-19/h2-8,10,12H,9,11,13H2,1H3

InChI Key

GNDHMXVRZROHBT-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.331

Distribution Coefficient, logD

3.331

Water Solubility, LogSw

-3.55

Polar Surface Area

44.845

Acid Dissociation Constant (pKa)

23.39

Base Dissociation Constant (pKb)

-0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

P667-0158F in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P667-0158F chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P667-0158F?
Check Price and Availability of P667-0158F, 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 P667-0158F you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P667-0158F
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P667-0158F
  • 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 P667-0158F available by request