4356-0563 Screening compound: methyl 5-[(4-bromophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylate

4356-0563 Screening compound: methyl 5-[(4-bromophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylate
4356-0563 Screening compound: methyl 5-[(4-bromophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4356-0563
methyl 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

4356-0563

Molecular Formula

C18H15BrO4 (C18 H15 BrO4)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(C(OC)=O)c(cc(cc2)OCc(cc3)ccc3Br)c2o1

InChI

InChI=1S/C18H15BrO4/c1-11-17(18(20)21-2)15-9-14(7-8-16(15)23-11)22-10-12-3-5-13(19)6-4-12/h3-9H,10H2,1-2H3

InChI Key

FLFNJLLWAHYKAB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01951523

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.22

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.917

Distribution Coefficient, logD

4.917

Water Solubility, LogSw

-5.20

Polar Surface Area

36.587

Acid Dissociation Constant (pKa)

28.57

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

4356-0563 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4356-0563 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4356-0563?
Check Price and Availability of 4356-0563, 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 4356-0563 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4356-0563
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4356-0563
  • 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 4356-0563 available by request