8015-1326 Screening compound: 9-bromo-1-methyl-3-(4-methylphenyl)-4a,10b-dihydro-2H-chromeno[3,4-c]pyridine-2,4,5(1H,3H)-trione

8015-1326 Screening compound: 9-bromo-1-methyl-3-(4-methylphenyl)-4a,10b-dihydro-2H-chromeno[3,4-c]pyridine-2,4,5(1H,3H)-trione
8015-1326 Screening compound: 9-bromo-1-methyl-3-(4-methylphenyl)-4a,10b-dihydro-2H-chromeno[3,4-c]pyridine-2,4,5(1H,3H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-1326
9-bromo-1-methyl-3-(4-methylphenyl)-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

8015-1326

Molecular Formula

C20H16BrNO4 (C20 H16 BrNO4)

Compound Name

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

IUPAC name

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

SMILES

CC(C(C1C(N2c3ccc(C)cc3)=O)c(cc(cc3)Br)c3OC1=O)C2=O

InChI

InChI=1S/C20H16BrNO4/c1-10-3-6-13(7-4-10)22-18(23)11(2)16-14-9-12(21)5-8-15(14)26-20(25)17(16)19(22)24/h3-9,11,16-17H,1-2H3

InChI Key

VSGCQSGNTQDAMN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03855765

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.26

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.852

Distribution Coefficient, logD

0.929

Water Solubility, LogSw

-3.24

Polar Surface Area

49.436

Acid Dissociation Constant (pKa)

5.48

Base Dissociation Constant (pKb)

-3.92

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

25.00

8015-1326 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 8015-1326 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-1326?
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What is the minimum amount of 8015-1326 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-1326
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-1326
  • 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 8015-1326 available by request