3570-0399 Screening compound: ethyl 5-[(4-bromophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylate

3570-0399 Screening compound: ethyl 5-[(4-bromophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylate
3570-0399 Screening compound: ethyl 5-[(4-bromophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3570-0399
ethyl 5-[(4-bromophenyl)methoxy]-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

3570-0399

Molecular Formula

C19H17BrO4 (C19 H17 BrO4)

Compound Name

ethyl 5-[(4-bromophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylate

IUPAC name

ethyl 5-[(4-bromophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylate

SMILES

CCOC(c1c(C)oc(cc2)c1cc2OCc(cc1)ccc1Br)=O

InChI

InChI=1S/C19H17BrO4/c1-3-22-19(21)18-12(2)24-17-9-8-15(10-16(17)18)23-11-13-4-6-14(20)7-5-13/h4-10H,3,11H2,1-2H3

InChI Key

HKQFMUNMHGWDOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01950996

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.25

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.299

Distribution Coefficient, logD

5.299

Water Solubility, LogSw

-5.59

Polar Surface Area

36.167

Acid Dissociation Constant (pKa)

28.57

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

3570-0399 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3570-0399 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3570-0399?
Check Price and Availability of 3570-0399, 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 3570-0399 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3570-0399
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3570-0399
  • 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 3570-0399 available by request