C800-0083 Screening compound: ethyl 2-(3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetate

C800-0083 Screening compound: ethyl 2-(3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetate
C800-0083 Screening compound: ethyl 2-(3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound C800-0083
ethyl 2-(3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetate

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

C800-0083

Molecular Formula

C12H15NO3 (C12 H15 NO3)

Compound Name

ethyl 2-(3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetate

IUPAC name

ethyl 2-(34-dihydro-2H-14-benzoxazin-4-yl)acetate

SMILES

CCOC(CN1c(cccc2)c2OCC1)=O

InChI

InChI=1S/C12H15NO3/c1-2-15-12(14)9-13-7-8-16-11-6-4-3-5-10(11)13/h3-6H,2,7-9H2,1H3

InChI Key

WFWCPJYCYMXPRA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14280736

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

221.26

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.113

Distribution Coefficient, logD

2.113

Water Solubility, LogSw

-2.39

Polar Surface Area

31.183

Acid Dissociation Constant (pKa)

21.87

Base Dissociation Constant (pKb)

5.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.67

C800-0083 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C800-0083 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C800-0083?
Check Price and Availability of C800-0083, 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 C800-0083 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C800-0083
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C800-0083
  • 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 C800-0083 available by request