D060-0149 Screening compound: 9-[2-(3,4-diethoxyphenyl)ethyl]-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-2-one

D060-0149 Screening compound: 9-[2-(3,4-diethoxyphenyl)ethyl]-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-2-one
D060-0149 Screening compound: 9-[2-(3,4-diethoxyphenyl)ethyl]-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D060-0149
9-[2-(3,4-diethoxyphenyl)ethyl]-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-2-one

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

D060-0149

Molecular Formula

C23H25NO5 (C23 H25 NO5)

Compound Name

9-[2-(3,4-diethoxyphenyl)ethyl]-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-2-one

IUPAC name

9-[2-(34-diethoxyphenyl)ethyl]-2H8H9H10H-chromeno[87-e][13]oxazin-2-one

SMILES

CCOc(ccc(CCN(C1)COc(cc2)c1c(O1)c2C=CC1=O)c1)c1OCC

InChI

InChI=1S/C23H25NO5/c1-3-26-20-8-5-16(13-21(20)27-4-2)11-12-24-14-18-19(28-15-24)9-6-17-7-10-22(25)29-23(17)18/h5-10,13H,3-4,11-12,14-15H2,1-2H3

InChI Key

CMSXKNVTPCPTMQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14811648

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.437

Distribution Coefficient, logD

3.394

Water Solubility, LogSw

-3.78

Polar Surface Area

47.313

Acid Dissociation Constant (pKa)

25.86

Base Dissociation Constant (pKb)

6.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

D060-0149 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 D060-0149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D060-0149?
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What is the minimum amount of D060-0149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D060-0149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D060-0149
  • 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 D060-0149 available by request