8015-1349 Screening compound: 3-(4-methoxyphenyl)-1-methyl-4a,10b-dihydro-2H-chromeno[3,4-c]pyridine-2,4,5(1H,3H)-trione

8015-1349 Screening compound: 3-(4-methoxyphenyl)-1-methyl-4a,10b-dihydro-2H-chromeno[3,4-c]pyridine-2,4,5(1H,3H)-trione
8015-1349 Screening compound: 3-(4-methoxyphenyl)-1-methyl-4a,10b-dihydro-2H-chromeno[3,4-c]pyridine-2,4,5(1H,3H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-1349
3-(4-methoxyphenyl)-1-methyl-4a,10b-dihydro-2H-chromeno[3,4-c]pyridine-2,4,5(1H,3H)-trione

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

8015-1349

Molecular Formula

C20H17NO5 (C20 H17 NO5)

Compound Name

3-(4-methoxyphenyl)-1-methyl-4a,10b-dihydro-2H-chromeno[3,4-c]pyridine-2,4,5(1H,3H)-trione

IUPAC name

5-(4-methoxyphenyl)-3-methyl-9-oxa-5-azatricyclo[8.4.0.0^{27}]tetradeca-1(10)1113-triene-468-trione

SMILES

CC(C(C1C(N2c(cc3)ccc3OC)=O)c(cccc3)c3OC1=O)C2=O

InChI

InChI=1S/C20H17NO5/c1-11-16-14-5-3-4-6-15(14)26-20(24)17(16)19(23)21(18(11)22)12-7-9-13(25-2)10-8-12/h3-11,16-17H,1-2H3

InChI Key

ZNASJPCPKHHUIB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03855786

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.627

Distribution Coefficient, logD

-0.296

Water Solubility, LogSw

-1.93

Polar Surface Area

56.979

Acid Dissociation Constant (pKa)

5.48

Base Dissociation Constant (pKb)

-3.89

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

25.00

8015-1349 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8015-1349 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-1349?
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What is the minimum amount of 8015-1349 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-1349
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-1349
  • 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 8015-1349 available by request