8018-7761 Screening compound: ethyl 6-bromo-2-[(dimethylamino)methyl]-5-hydroxy-1-benzofuran-3-carboxylate

8018-7761 Screening compound: ethyl 6-bromo-2-[(dimethylamino)methyl]-5-hydroxy-1-benzofuran-3-carboxylate
8018-7761 Screening compound: ethyl 6-bromo-2-[(dimethylamino)methyl]-5-hydroxy-1-benzofuran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-7761
ethyl 6-bromo-2-[(dimethylamino)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

8018-7761

Molecular Formula

C14H16BrNO4 (C14 H16 BrNO4)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c(c1c2)c(CN(C)C)oc1cc(Br)c2O)=O

InChI

InChI=1S/C14H16BrNO4/c1-4-19-14(18)13-8-5-10(17)9(15)6-11(8)20-12(13)7-16(2)3/h5-6,17H,4,7H2,1-3H3

InChI Key

QZRAFKUFPIVZMQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08532213

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

342.19

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.572

Distribution Coefficient, logD

-0.012

Water Solubility, LogSw

-2.24

Polar Surface Area

49.124

Acid Dissociation Constant (pKa)

7.93

Base Dissociation Constant (pKb)

9.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.71

8018-7761 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

CNS BBB Library (22607 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 8018-7761 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-7761?
Check Price and Availability of 8018-7761, 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 8018-7761 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-7761
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-7761
  • 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 8018-7761 available by request