C908-9035 Screening compound: 2-cyclohexyl-7-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one

C908-9035 Screening compound: 2-cyclohexyl-7-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one
C908-9035 Screening compound: 2-cyclohexyl-7-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C908-9035
2-cyclohexyl-7-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-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

C908-9035

Molecular Formula

C15H19NO2 (C15 H19 NO2)

Compound Name

2-cyclohexyl-7-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one

IUPAC name

n/a

SMILES

Cc(cc1)cc(OC2C3CCCCC3)c1NC2=O

InChI

InChI=1S/C15H19NO2/c1-10-7-8-12-13(9-10)18-14(15(17)16-12)11-5-3-2-4-6-11/h7-9,11,14H,2-6H2,1H3,(H,16,17)/t14-/m0/s1

InChI Key

NLJIIILERCHQJY-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD26966984

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

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.458

Distribution Coefficient, logD

3.458

Water Solubility, LogSw

-3.51

Polar Surface Area

32.720

Acid Dissociation Constant (pKa)

11.97

Base Dissociation Constant (pKb)

-0.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.33

C908-9035 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C908-9035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C908-9035?
Check Price and Availability of C908-9035, 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 C908-9035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C908-9035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C908-9035
  • 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 C908-9035 available by request