3341-4958 Screening compound: ethyl 6-bromo-5-(3,3-dimethyl-2-oxobutoxy)-2-phenyl-1-benzofuran-3-carboxylate

3341-4958 Screening compound: ethyl 6-bromo-5-(3,3-dimethyl-2-oxobutoxy)-2-phenyl-1-benzofuran-3-carboxylate
3341-4958 Screening compound: ethyl 6-bromo-5-(3,3-dimethyl-2-oxobutoxy)-2-phenyl-1-benzofuran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3341-4958
ethyl 6-bromo-5-(3,3-dimethyl-2-oxobutoxy)-2-phenyl-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

3341-4958

Molecular Formula

C23H23BrO5 (C23 H23 BrO5)

Compound Name

ethyl 6-bromo-5-(3,3-dimethyl-2-oxobutoxy)-2-phenyl-1-benzofuran-3-carboxylate

IUPAC name

ethyl 6-bromo-5-(33-dimethyl-2-oxobutoxy)-2-phenyl-1-benzofuran-3-carboxylate

SMILES

CCOC(c(c1c2)c(-c3ccccc3)oc1cc(Br)c2OCC(C(C)(C)C)=O)=O

InChI

InChI=1S/C23H23BrO5/c1-5-27-22(26)20-15-11-18(28-13-19(25)23(2,3)4)16(24)12-17(15)29-21(20)14-9-7-6-8-10-14/h6-12H,5,13H2,1-4H3

InChI Key

FTZSEDLUXADKCB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02167057

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.233

Distribution Coefficient, logD

6.233

Water Solubility, LogSw

-5.63

Polar Surface Area

50.079

Acid Dissociation Constant (pKa)

22.52

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

3341-4958 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 3341-4958 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3341-4958?
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What is the minimum amount of 3341-4958 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3341-4958
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3341-4958
  • 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 3341-4958 available by request