6494-0077 Screening compound: 5-methyl-3-{[2-(3-methylbutoxy)phenyl]methyl}-2,3-dihydro-1,3-benzoxazol-2-one

6494-0077 Screening compound: 5-methyl-3-{[2-(3-methylbutoxy)phenyl]methyl}-2,3-dihydro-1,3-benzoxazol-2-one
6494-0077 Screening compound: 5-methyl-3-{[2-(3-methylbutoxy)phenyl]methyl}-2,3-dihydro-1,3-benzoxazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6494-0077
5-methyl-3-{[2-(3-methylbutoxy)phenyl]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

6494-0077

Molecular Formula

C20H23NO3 (C20 H23 NO3)

Compound Name

5-methyl-3-{[2-(3-methylbutoxy)phenyl]methyl}-2,3-dihydro-1,3-benzoxazol-2-one

IUPAC name

5-methyl-3-{[2-(3-methylbutoxy)phenyl]methyl}-23-dihydro-13-benzoxazol-2-one

SMILES

CC(C)CCOc1c(CN(c(cc(C)cc2)c2O2)C2=O)cccc1

InChI

InChI=1S/C20H23NO3/c1-14(2)10-11-23-18-7-5-4-6-16(18)13-21-17-12-15(3)8-9-19(17)24-20(21)22/h4-9,12,14H,10-11,13H2,1-3H3

InChI Key

VEAWIRNHRVCCQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04364507

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.41

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

5.417

Distribution Coefficient, logD

5.417

Water Solubility, LogSw

-5.33

Polar Surface Area

30.571

Acid Dissociation Constant (pKa)

25.16

Base Dissociation Constant (pKb)

-3.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

6494-0077 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 6494-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6494-0077?
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What is the minimum amount of 6494-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6494-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6494-0077
  • 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 6494-0077 available by request