6494-0088 Screening compound: 3-{[3-methoxy-4-(propan-2-yloxy)phenyl]methyl}-5-methyl-2,3-dihydro-1,3-benzoxazol-2-one

6494-0088 Screening compound: 3-{[3-methoxy-4-(propan-2-yloxy)phenyl]methyl}-5-methyl-2,3-dihydro-1,3-benzoxazol-2-one
6494-0088 Screening compound: 3-{[3-methoxy-4-(propan-2-yloxy)phenyl]methyl}-5-methyl-2,3-dihydro-1,3-benzoxazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6494-0088
3-{[3-methoxy-4-(propan-2-yloxy)phenyl]methyl}-5-methyl-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

6494-0088

Molecular Formula

C19H21NO4 (C19 H21 NO4)

Compound Name

3-{[3-methoxy-4-(propan-2-yloxy)phenyl]methyl}-5-methyl-2,3-dihydro-1,3-benzoxazol-2-one

IUPAC name

3-{[3-methoxy-4-(propan-2-yloxy)phenyl]methyl}-5-methyl-23-dihydro-13-benzoxazol-2-one

SMILES

CC(C)Oc(ccc(CN(c(cc(C)cc1)c1O1)C1=O)c1)c1OC

InChI

InChI=1S/C19H21NO4/c1-12(2)23-17-8-6-14(10-18(17)22-4)11-20-15-9-13(3)5-7-16(15)24-19(20)21/h5-10,12H,11H2,1-4H3

InChI Key

IPRVWMILZGTUJG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04092170

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.38

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

3.948

Distribution Coefficient, logD

3.948

Water Solubility, LogSw

-4.07

Polar Surface Area

37.587

Acid Dissociation Constant (pKa)

26.39

Base Dissociation Constant (pKb)

-2.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

6494-0088 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Inflammatory Library (24602 compounds)

CNS targets activity set (6557 compounds)

Cardiovascular Library (22201 compounds)

STING Agonist Library (5895 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
Therapeutical areas:
  • Immune system
  • Cardiovascular
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 6494-0088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6494-0088?
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What is the minimum amount of 6494-0088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6494-0088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6494-0088
  • 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 6494-0088 available by request