D144-0531 Screening compound: ethyl 3-{3-[(4-fluorophenyl)methyl]-6,10-dimethyl-8-oxo-2H,3H,4H,8H-chromeno[6,7-e][1,3]oxazin-7-yl}propanoate

D144-0531 Screening compound: ethyl 3-{3-[(4-fluorophenyl)methyl]-6,10-dimethyl-8-oxo-2H,3H,4H,8H-chromeno[6,7-e][1,3]oxazin-7-yl}propanoate
D144-0531 Screening compound: ethyl 3-{3-[(4-fluorophenyl)methyl]-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 D144-0531
ethyl 3-{3-[(4-fluorophenyl)methyl]-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

D144-0531

Molecular Formula

C25H26FNO5 (C25 H26 FNO5)

Compound Name

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

IUPAC name

ethyl 3-{3-[(4-fluorophenyl)methyl]-610-dimethyl-8-oxo-2H3H4H8H-chromeno[67-e][13]oxazin-7-yl}propanoate

SMILES

CCOC(CCC(C(Oc1c2C)=O)=C(C)c1cc1c2OCN(Cc(cc2)ccc2F)C1)=O

InChI

InChI=1S/C25H26FNO5/c1-4-30-22(28)10-9-20-15(2)21-11-18-13-27(12-17-5-7-19(26)8-6-17)14-31-23(18)16(3)24(21)32-25(20)29/h5-8,11H,4,9-10,12-14H2,1-3H3

InChI Key

UJPAAHSWJDZIJO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06439319

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.864

Distribution Coefficient, logD

4.330

Water Solubility, LogSw

-4.61

Polar Surface Area

53.272

Acid Dissociation Constant (pKa)

23.48

Base Dissociation Constant (pKb)

7.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

D144-0531 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 D144-0531 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D144-0531?
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What is the minimum amount of D144-0531 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D144-0531
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D144-0531
  • 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 D144-0531 available by request