8015-2608 Screening compound: methyl 2-[6-bromo-3-(morpholinocarbonyl)-2-oxo-3,4-dihydro-2H-chromen-4-yl]-2-methylpropanoate

8015-2608 Screening compound: methyl 2-[6-bromo-3-(morpholinocarbonyl)-2-oxo-3,4-dihydro-2H-chromen-4-yl]-2-methylpropanoate
8015-2608 Screening compound: methyl 2-[6-bromo-3-(morpholinocarbonyl)-2-oxo-3,4-dihydro-2H-chromen-4-yl]-2-methylpropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-2608
methyl 2-[6-bromo-3-(morpholinocarbonyl)-2-oxo-3,4-dihydro-2H-chromen-4-yl]-2-methylpropanoate

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

8015-2608

Molecular Formula

C19H22BrNO6 (C19 H22 BrNO6)

Compound Name

methyl 2-[6-bromo-3-(morpholinocarbonyl)-2-oxo-3,4-dihydro-2H-chromen-4-yl]-2-methylpropanoate

IUPAC name

methyl 2-[6-bromo-3-(morpholine-4-carbonyl)-2-oxo-34-dihydro-2H-1-benzopyran-4-yl]-2-methylpropanoate

SMILES

CC(C)(C(C1C(N2CCOCC2)=O)c(cc(cc2)Br)c2OC1=O)C(OC)=O

InChI

InChI=1S/C19H22BrNO6/c1-19(2,18(24)25-3)15-12-10-11(20)4-5-13(12)27-17(23)14(15)16(22)21-6-8-26-9-7-21/h4-5,10,14-15H,6-9H2,1-3H3

InChI Key

GRMQAVCVZBZDEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04060238

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.29

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.415

Distribution Coefficient, logD

2.413

Water Solubility, LogSw

-2.89

Polar Surface Area

66.891

Acid Dissociation Constant (pKa)

9.71

Base Dissociation Constant (pKb)

-4.30

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.63

8015-2608 in Drug Discovery

Included in Screening Libraries

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

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 8015-2608 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-2608?
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What is the minimum amount of 8015-2608 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-2608
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-2608
  • 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 8015-2608 available by request