D144-0699 Screening compound: ethyl 3-{3-[2-(2-fluorophenyl)ethyl]-6,10-dimethyl-8-oxo-2H,3H,4H,8H-chromeno[6,7-e][1,3]oxazin-7-yl}propanoate

D144-0699 Screening compound: ethyl 3-{3-[2-(2-fluorophenyl)ethyl]-6,10-dimethyl-8-oxo-2H,3H,4H,8H-chromeno[6,7-e][1,3]oxazin-7-yl}propanoate
D144-0699 Screening compound: ethyl 3-{3-[2-(2-fluorophenyl)ethyl]-6,10-dimethyl-8-oxo-2H,3H,4H,8H-chromeno[6,7-e][1,3]oxazin-7-yl}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D144-0699
ethyl 3-{3-[2-(2-fluorophenyl)ethyl]-6,10-dimethyl-8-oxo-2H,3H,4H,8H-chromeno[6,7-e][1,3]oxazin-7-yl}propanoate

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

D144-0699

Molecular Formula

C26H28FNO5 (C26 H28 FNO5)

Compound Name

ethyl 3-{3-[2-(2-fluorophenyl)ethyl]-6,10-dimethyl-8-oxo-2H,3H,4H,8H-chromeno[6,7-e][1,3]oxazin-7-yl}propanoate

IUPAC name

ethyl 3-{3-[2-(2-fluorophenyl)ethyl]-610-dimethyl-8-oxo-2H3H4H8H-chromeno[67-e][13]oxazin-7-yl}propanoate

SMILES

CCOC(CCC(C(Oc1c2C)=O)=C(C)c1cc1c2OCN(CCc(cccc2)c2F)C1)=O

InChI

InChI=1S/C26H28FNO5/c1-4-31-23(29)10-9-20-16(2)21-13-19-14-28(12-11-18-7-5-6-8-22(18)27)15-32-24(19)17(3)25(21)33-26(20)30/h5-8,13H,4,9-12,14-15H2,1-3H3

InChI Key

ZMHNJMRQRBFRQP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06439390

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.194

Distribution Coefficient, logD

4.313

Water Solubility, LogSw

-5.07

Polar Surface Area

53.250

Acid Dissociation Constant (pKa)

23.48

Base Dissociation Constant (pKb)

8.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

D144-0699 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D144-0699 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D144-0699?
Check Price and Availability of D144-0699, 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 D144-0699 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D144-0699
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D144-0699
  • 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 D144-0699 available by request