8009-2075 Screening compound: 4'-tert-butyl-3,4-dihydrospiro[1,3-benzoxazine-2,1'-cyclohexan]-4-one

8009-2075 Screening compound: 4'-tert-butyl-3,4-dihydrospiro[1,3-benzoxazine-2,1'-cyclohexan]-4-one
8009-2075 Screening compound: 4'-tert-butyl-3,4-dihydrospiro[1,3-benzoxazine-2,1'-cyclohexan]-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-2075
4'-tert-butyl-3,4-dihydrospiro[1,3-benzoxazine-2,1'-cyclohexan]-4-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

8009-2075

Molecular Formula

C17H23NO2 (C17 H23 NO2)

Compound Name

4'-tert-butyl-3,4-dihydrospiro[1,3-benzoxazine-2,1'-cyclohexan]-4-one

IUPAC name

4'-tert-butyl-34-dihydrospiro[13-benzoxazine-21'-cyclohexan]-4-one

SMILES

CC(C)(C)C(CC1)CCC1(N1)Oc(cccc2)c2C1=O

InChI

InChI=1S/C17H23NO2/c1-16(2,3)12-8-10-17(11-9-12)18-15(19)13-6-4-5-7-14(13)20-17/h4-7,12H,8-11H2,1-3H3,(H,18,19)

InChI Key

STJVENDQRFTLCO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01572352

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

273.38

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.025

Distribution Coefficient, logD

4.025

Water Solubility, LogSw

-4.32

Polar Surface Area

32.665

Acid Dissociation Constant (pKa)

12.88

Base Dissociation Constant (pKb)

-2.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.82

8009-2075 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8009-2075 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-2075?
Check Price and Availability of 8009-2075, 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 8009-2075 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-2075
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-2075
  • 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 8009-2075 available by request