4237-0185 Screening compound: ethyl 5-(acetyloxy)-2-methyl-1-benzofuran-3-carboxylate

4237-0185 Screening compound: ethyl 5-(acetyloxy)-2-methyl-1-benzofuran-3-carboxylate
4237-0185 Screening compound: ethyl 5-(acetyloxy)-2-methyl-1-benzofuran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4237-0185
ethyl 5-(acetyloxy)-2-methyl-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

4237-0185

Molecular Formula

C14H14O5 (C14 H14 O5)

Compound Name

ethyl 5-(acetyloxy)-2-methyl-1-benzofuran-3-carboxylate

IUPAC name

ethyl 5-(acetyloxy)-2-methyl-1-benzofuran-3-carboxylate

SMILES

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

InChI

InChI=1S/C14H14O5/c1-4-17-14(16)13-8(2)18-12-6-5-10(7-11(12)13)19-9(3)15/h5-7H,4H2,1-3H3

InChI Key

MQQLZGZIWPSUHH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00430847

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

262.26

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.444

Distribution Coefficient, logD

2.444

Water Solubility, LogSw

-2.65

Polar Surface Area

49.691

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

4237-0185 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

BRD4 Targeted Library (4534 compounds)

Dark Chemical Matter Library (18430 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Agro:
  • Agro
Targets:
  • Others
  • Proteases
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 4237-0185 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4237-0185?
Check Price and Availability of 4237-0185, 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 4237-0185 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4237-0185
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4237-0185
  • 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 4237-0185 available by request