4427-1194 Screening compound: (3Z)-3-(3,3-dimethyl-2-oxobutylidene)-3,4-dihydro-2H-1,4-benzoxazin-2-one

4427-1194 Screening compound: (3Z)-3-(3,3-dimethyl-2-oxobutylidene)-3,4-dihydro-2H-1,4-benzoxazin-2-one
4427-1194 Screening compound: (3Z)-3-(3,3-dimethyl-2-oxobutylidene)-3,4-dihydro-2H-1,4-benzoxazin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4427-1194
(3Z)-3-(3,3-dimethyl-2-oxobutylidene)-3,4-dihydro-2H-1,4-benzoxazin-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

4427-1194

Molecular Formula

C14H15NO3 (C14 H15 NO3)

Compound Name

(3Z)-3-(3,3-dimethyl-2-oxobutylidene)-3,4-dihydro-2H-1,4-benzoxazin-2-one

IUPAC name

(3Z)-3-(33-dimethyl-2-oxobutylidene)-34-dihydro-2H-14-benzoxazin-2-one

SMILES

CC(C)(C)C(/C=C1\Nc(cccc2)c2OC1=O)=O

InChI

InChI=1S/C14H15NO3/c1-14(2,3)12(16)8-10-13(17)18-11-7-5-4-6-9(11)15-10/h4-8,15H,1-3H3

InChI Key

IBBQAWOGIGVTQC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01130267

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

245.28

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.103

Distribution Coefficient, logD

3.099

Water Solubility, LogSw

-3.49

Polar Surface Area

45.666

Acid Dissociation Constant (pKa)

9.44

Base Dissociation Constant (pKb)

-4.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with 4427-1194 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4427-1194?
Check Price and Availability of 4427-1194, 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 4427-1194 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4427-1194
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4427-1194
  • 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 4427-1194 available by request