4554-5195 Screening compound: 2-methoxyethyl 6-bromo-5-{[4-(methoxycarbonyl)phenyl]methoxy}-2-methyl-1-benzofuran-3-carboxylate

4554-5195 Screening compound: 2-methoxyethyl 6-bromo-5-{[4-(methoxycarbonyl)phenyl]methoxy}-2-methyl-1-benzofuran-3-carboxylate
4554-5195 Screening compound: 2-methoxyethyl 6-bromo-5-{[4-(methoxycarbonyl)phenyl]methoxy}-2-methyl-1-benzofuran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4554-5195
2-methoxyethyl 6-bromo-5-{[4-(methoxycarbonyl)phenyl]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

4554-5195

Molecular Formula

C22H21BrO7 (C22 H21 BrO7)

Compound Name

2-methoxyethyl 6-bromo-5-{[4-(methoxycarbonyl)phenyl]methoxy}-2-methyl-1-benzofuran-3-carboxylate

IUPAC name

2-methoxyethyl 6-bromo-5-{[4-(methoxycarbonyl)phenyl]methoxy}-2-methyl-1-benzofuran-3-carboxylate

SMILES

Cc(oc1c2)c(C(OCCOC)=O)c1cc(OCc(cc1)ccc1C(OC)=O)c2Br

InChI

InChI=1S/C22H21BrO7/c1-13-20(22(25)28-9-8-26-2)16-10-19(17(23)11-18(16)30-13)29-12-14-4-6-15(7-5-14)21(24)27-3/h4-7,10-11H,8-9,12H2,1-3H3

InChI Key

UZSASQXOOSJWKB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03265959

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.31

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.308

Distribution Coefficient, logD

4.308

Water Solubility, LogSw

-4.77

Polar Surface Area

66.064

Acid Dissociation Constant (pKa)

29.03

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with 4554-5195 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4554-5195?
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What is the minimum amount of 4554-5195 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4554-5195
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4554-5195
  • 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 4554-5195 available by request