8016-9224 Screening compound: 3a,5,5,9b-tetramethyl-3a,4,5,9b-tetrahydronaphtho[1,2-d][1,3]oxazol-2(1H)-one

8016-9224 Screening compound: 3a,5,5,9b-tetramethyl-3a,4,5,9b-tetrahydronaphtho[1,2-d][1,3]oxazol-2(1H)-one
8016-9224 Screening compound: 3a,5,5,9b-tetramethyl-3a,4,5,9b-tetrahydronaphtho[1,2-d][1,3]oxazol-2(1H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-9224
3a,5,5,9b-tetramethyl-3a,4,5,9b-tetrahydronaphtho[1,2-d][1,3]oxazol-2(1H)-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

8016-9224

Molecular Formula

C15H19NO2 (C15 H19 NO2)

Compound Name

3a,5,5,9b-tetramethyl-3a,4,5,9b-tetrahydronaphtho[1,2-d][1,3]oxazol-2(1H)-one

IUPAC name

3a559b-tetramethyl-1H2H3aH4H5H9bH-naphtho[12-d][13]oxazol-2-one

SMILES

CC(CC(C)(C)c1c2cccc1)(C2(C)N1)OC1=O

InChI

InChI=1S/C15H19NO2/c1-13(2)9-14(3)15(4,16-12(17)18-14)11-8-6-5-7-10(11)13/h5-8H,9H2,1-4H3,(H,16,17)

InChI Key

BZTQELZAQCTKGM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05860309

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

245.32

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.604

Distribution Coefficient, logD

3.604

Water Solubility, LogSw

-3.81

Polar Surface Area

33.740

Acid Dissociation Constant (pKa)

12.96

Base Dissociation Constant (pKb)

-6.67

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

53.33

References: we are preparing a list of scientific research reports with 8016-9224 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-9224?
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What is the minimum amount of 8016-9224 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-9224
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-9224
  • 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 8016-9224 available by request