D075-0229 Screening compound: methyl 4-[2-(4-ethylphenoxy)acetyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate

D075-0229 Screening compound: methyl 4-[2-(4-ethylphenoxy)acetyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
D075-0229 Screening compound: methyl 4-[2-(4-ethylphenoxy)acetyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D075-0229
methyl 4-[2-(4-ethylphenoxy)acetyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate

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

D075-0229

Molecular Formula

C20H21NO5 (C20 H21 NO5)

Compound Name

methyl 4-[2-(4-ethylphenoxy)acetyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate

IUPAC name

methyl 4-[2-(4-ethylphenoxy)acetyl]-34-dihydro-2H-14-benzoxazine-2-carboxylate

SMILES

CCc(cc1)ccc1OCC(N(C1)c(cccc2)c2OC1C(OC)=O)=O

InChI

InChI=1S/C20H21NO5/c1-3-14-8-10-15(11-9-14)25-13-19(22)21-12-18(20(23)24-2)26-17-7-5-4-6-16(17)21/h4-11,18H,3,12-13H2,1-2H3/t18-/m0/s1

InChI Key

IJKCWHQEOXUASZ-SFHVURJKSA-N

MDL Number (MFCD)

MFCD06646962

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.449

Distribution Coefficient, logD

3.449

Water Solubility, LogSw

-3.61

Polar Surface Area

50.697

Acid Dissociation Constant (pKa)

18.58

Base Dissociation Constant (pKb)

-3.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

D075-0229 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Structure:
  • Pool

References: we are preparing a list of scientific research reports with D075-0229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D075-0229?
Check Price and Availability of D075-0229, 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 D075-0229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D075-0229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D075-0229
  • 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 D075-0229 available by request