3570-0420 Screening compound: ethyl 2-methyl-5-(thiophene-2-carbonyloxy)-1-benzofuran-3-carboxylate

3570-0420 Screening compound: ethyl 2-methyl-5-(thiophene-2-carbonyloxy)-1-benzofuran-3-carboxylate
3570-0420 Screening compound: ethyl 2-methyl-5-(thiophene-2-carbonyloxy)-1-benzofuran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3570-0420
ethyl 2-methyl-5-(thiophene-2-carbonyloxy)-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

3570-0420

Molecular Formula

C17H14O5S (C17 H14 O5 S)

Compound Name

ethyl 2-methyl-5-(thiophene-2-carbonyloxy)-1-benzofuran-3-carboxylate

IUPAC name

ethyl 2-methyl-5-(thiophene-2-carbonyloxy)-1-benzofuran-3-carboxylate

SMILES

CCOC(c1c(C)oc(cc2)c1cc2OC(c1cccs1)=O)=O

InChI

InChI=1S/C17H14O5S/c1-3-20-17(19)15-10(2)21-13-7-6-11(9-12(13)15)22-16(18)14-5-4-8-23-14/h4-9H,3H2,1-2H3

InChI Key

WIWTURDIRZFYBL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01858830

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.016

Distribution Coefficient, logD

4.016

Water Solubility, LogSw

-4.14

Polar Surface Area

50.336

Acid Dissociation Constant (pKa)

30.16

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

3570-0420 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 3570-0420 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3570-0420?
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What is the minimum amount of 3570-0420 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3570-0420
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3570-0420
  • 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 3570-0420 available by request