8015-1427 Screening compound: ethyl 6-bromo-2-[(diethylamino)methyl]-5-hydroxy-1-benzofuran-3-carboxylate

8015-1427 Screening compound: ethyl 6-bromo-2-[(diethylamino)methyl]-5-hydroxy-1-benzofuran-3-carboxylate
8015-1427 Screening compound: ethyl 6-bromo-2-[(diethylamino)methyl]-5-hydroxy-1-benzofuran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-1427
ethyl 6-bromo-2-[(diethylamino)methyl]-5-hydroxy-1-benzofuran-3-carboxylate

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

8015-1427

Molecular Formula

C16H20BrNO4 (C16 H20 BrNO4)

Compound Name

ethyl 6-bromo-2-[(diethylamino)methyl]-5-hydroxy-1-benzofuran-3-carboxylate

IUPAC name

ethyl 6-bromo-2-[(diethylamino)methyl]-5-hydroxy-1-benzofuran-3-carboxylate

SMILES

CCN(CC)Cc(oc1c2)c(C(OCC)=O)c1cc(O)c2Br

InChI

InChI=1S/C16H20BrNO4/c1-4-18(5-2)9-14-15(16(20)21-6-3)10-7-12(19)11(17)8-13(10)22-14/h7-8,19H,4-6,9H2,1-3H3

InChI Key

YRBZKPKZJNRCEW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03855854

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.24

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.462

Distribution Coefficient, logD

0.571

Water Solubility, LogSw

-3.42

Polar Surface Area

48.669

Acid Dissociation Constant (pKa)

7.93

Base Dissociation Constant (pKb)

10.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

8015-1427 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

CNS BBB Library (22607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system

References: we are preparing a list of scientific research reports with 8015-1427 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-1427?
Check Price and Availability of 8015-1427, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8015-1427 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-1427
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-1427
  • 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 8015-1427 available by request