6494-0064 Screening compound: 5-methyl-3-{3-[5-methyl-2-(propan-2-yl)phenoxy]propyl}-2,3-dihydro-1,3-benzoxazol-2-one

6494-0064 Screening compound: 5-methyl-3-{3-[5-methyl-2-(propan-2-yl)phenoxy]propyl}-2,3-dihydro-1,3-benzoxazol-2-one
6494-0064 Screening compound: 5-methyl-3-{3-[5-methyl-2-(propan-2-yl)phenoxy]propyl}-2,3-dihydro-1,3-benzoxazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6494-0064
5-methyl-3-{3-[5-methyl-2-(propan-2-yl)phenoxy]propyl}-2,3-dihydro-1,3-benzoxazol-2-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

6494-0064

Molecular Formula

C21H25NO3 (C21 H25 NO3)

Compound Name

5-methyl-3-{3-[5-methyl-2-(propan-2-yl)phenoxy]propyl}-2,3-dihydro-1,3-benzoxazol-2-one

IUPAC name

5-methyl-3-{3-[5-methyl-2-(propan-2-yl)phenoxy]propyl}-23-dihydro-13-benzoxazol-2-one

SMILES

CC(C)c(ccc(C)c1)c1OCCCN(c(cc(C)cc1)c1O1)C1=O

InChI

InChI=1S/C21H25NO3/c1-14(2)17-8-6-16(4)13-20(17)24-11-5-10-22-18-12-15(3)7-9-19(18)25-21(22)23/h6-9,12-14H,5,10-11H2,1-4H3

InChI Key

LCUMYLZFROCOCQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04364207

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.791

Distribution Coefficient, logD

5.791

Water Solubility, LogSw

-5.34

Polar Surface Area

30.550

Acid Dissociation Constant (pKa)

24.08

Base Dissociation Constant (pKb)

-1.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

6494-0064 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 6494-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6494-0064?
Check Price and Availability of 6494-0064, 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 6494-0064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6494-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6494-0064
  • 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 6494-0064 available by request