D075-0233 Screening compound: methyl 4-{2-[4-(propan-2-yl)phenoxy]propanoyl}-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate

D075-0233 Screening compound: methyl 4-{2-[4-(propan-2-yl)phenoxy]propanoyl}-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
D075-0233 Screening compound: methyl 4-{2-[4-(propan-2-yl)phenoxy]propanoyl}-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D075-0233
methyl 4-{2-[4-(propan-2-yl)phenoxy]propanoyl}-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

D075-0233

Molecular Formula

C22H25NO5 (C22 H25 NO5)

Compound Name

methyl 4-{2-[4-(propan-2-yl)phenoxy]propanoyl}-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate

IUPAC name

methyl 4-{2-[4-(propan-2-yl)phenoxy]propanoyl}-34-dihydro-2H-14-benzoxazine-2-carboxylate

SMILES

CC(C)c(cc1)ccc1OC(C)C(N(C1)c(cccc2)c2OC1C(OC)=O)=O

InChI

InChI=1S/C22H25NO5/c1-14(2)16-9-11-17(12-10-16)27-15(3)21(24)23-13-20(22(25)26-4)28-19-8-6-5-7-18(19)23/h5-12,14-15,20H,13H2,1-4H3

InChI Key

ISNQHFJDAYWQTD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06646549

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.44

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

4.298

Distribution Coefficient, logD

4.298

Water Solubility, LogSw

-4.35

Polar Surface Area

50.515

Acid Dissociation Constant (pKa)

18.58

Base Dissociation Constant (pKb)

-3.29

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.40

D075-0233 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with D075-0233 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D075-0233?
Check Price and Availability of D075-0233, 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 D075-0233 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D075-0233
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D075-0233
  • 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 D075-0233 available by request