3570-0740 Screening compound: ethyl 6-bromo-5-(cyanomethoxy)-2-phenyl-1-benzofuran-3-carboxylate

3570-0740 Screening compound: ethyl 6-bromo-5-(cyanomethoxy)-2-phenyl-1-benzofuran-3-carboxylate
3570-0740 Screening compound: ethyl 6-bromo-5-(cyanomethoxy)-2-phenyl-1-benzofuran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3570-0740
ethyl 6-bromo-5-(cyanomethoxy)-2-phenyl-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

3570-0740

Molecular Formula

C19H14BrNO4 (C19 H14 BrNO4)

Compound Name

ethyl 6-bromo-5-(cyanomethoxy)-2-phenyl-1-benzofuran-3-carboxylate

IUPAC name

ethyl 6-bromo-5-(cyanomethoxy)-2-phenyl-1-benzofuran-3-carboxylate

SMILES

CCOC(c(c1c2)c(-c3ccccc3)oc1cc(Br)c2OCC#N)=O

InChI

InChI=1S/C19H14BrNO4/c1-2-23-19(22)17-13-10-16(24-9-8-21)14(20)11-15(13)25-18(17)12-6-4-3-5-7-12/h3-7,10-11H,2,9H2,1H3

InChI Key

HEDBRVSCAVGIFC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02164549

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.23

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.648

Distribution Coefficient, logD

4.648

Water Solubility, LogSw

-4.55

Polar Surface Area

54.243

Acid Dissociation Constant (pKa)

25.01

Base Dissociation Constant (pKb)

-7.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

3570-0740 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system

References: we are preparing a list of scientific research reports with 3570-0740 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3570-0740?
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What is the minimum amount of 3570-0740 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3570-0740
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3570-0740
  • 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 3570-0740 available by request