1486-0332 Screening compound: ethyl 4-bromo-5-(4-butoxybenzoyloxy)-2-formyl-7-methyl-1-benzofuran-3-carboxylate

1486-0332 Screening compound: ethyl 4-bromo-5-(4-butoxybenzoyloxy)-2-formyl-7-methyl-1-benzofuran-3-carboxylate
1486-0332 Screening compound: ethyl 4-bromo-5-(4-butoxybenzoyloxy)-2-formyl-7-methyl-1-benzofuran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1486-0332
ethyl 4-bromo-5-(4-butoxybenzoyloxy)-2-formyl-7-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

1486-0332

Molecular Formula

C24H23BrO7 (C24 H23 BrO7)

Compound Name

ethyl 4-bromo-5-(4-butoxybenzoyloxy)-2-formyl-7-methyl-1-benzofuran-3-carboxylate

IUPAC name

ethyl 4-bromo-5-(4-butoxybenzoyloxy)-2-formyl-7-methyl-1-benzofuran-3-carboxylate

SMILES

CCCCOc(cc1)ccc1C(Oc(cc(C)c1c2c(C(OCC)=O)c(C=O)o1)c2Br)=O

InChI

InChI=1S/C24H23BrO7/c1-4-6-11-30-16-9-7-15(8-10-16)23(27)32-17-12-14(3)22-20(21(17)25)19(18(13-26)31-22)24(28)29-5-2/h7-10,12-13H,4-6,11H2,1-3H3

InChI Key

NXEWBYNPTJKOAW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01531972

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.35

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.853

Distribution Coefficient, logD

5.853

Water Solubility, LogSw

-5.76

Polar Surface Area

70.963

Acid Dissociation Constant (pKa)

26.89

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

1486-0332 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Cyclic compounds
  • 3D
  • Fragments
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 1486-0332 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1486-0332?
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What is the minimum amount of 1486-0332 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1486-0332
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1486-0332
  • 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 1486-0332 available by request