8014-2002 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-bromo-8-methoxy-2-oxo-2H-chromene-3-carboxamide

8014-2002 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-bromo-8-methoxy-2-oxo-2H-chromene-3-carboxamide
8014-2002 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-bromo-8-methoxy-2-oxo-2H-chromene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-2002
N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-bromo-8-methoxy-2-oxo-2H-chromene-3-carboxamide

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

8014-2002

Molecular Formula

C19H14BrNO6 (C19 H14 BrNO6)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-bromo-8-methoxy-2-oxo-2H-chromene-3-carboxamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-6-bromo-8-methoxy-2-oxo-2H-chromene-3-carboxamide

SMILES

COc(cc(cc1C=C2C(NCc(cc3)cc4c3OCO4)=O)Br)c1OC2=O

InChI

InChI=1S/C19H14BrNO6/c1-24-16-7-12(20)5-11-6-13(19(23)27-17(11)16)18(22)21-8-10-2-3-14-15(4-10)26-9-25-14/h2-7H,8-9H2,1H3,(H,21,22)

InChI Key

DFELGHFXAHBQLC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03768131

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.23

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.255

Distribution Coefficient, logD

3.255

Water Solubility, LogSw

-3.52

Polar Surface Area

70.004

Acid Dissociation Constant (pKa)

11.90

Base Dissociation Constant (pKb)

-1.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

8014-2002 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 8014-2002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-2002?
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What is the minimum amount of 8014-2002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-2002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-2002
  • 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 8014-2002 available by request