1486-0323 Screening compound: ethyl 4-bromo-5-(2-bromobenzoyloxy)-2-formyl-7-methyl-1-benzofuran-3-carboxylate

1486-0323 Screening compound: ethyl 4-bromo-5-(2-bromobenzoyloxy)-2-formyl-7-methyl-1-benzofuran-3-carboxylate
1486-0323 Screening compound: ethyl 4-bromo-5-(2-bromobenzoyloxy)-2-formyl-7-methyl-1-benzofuran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1486-0323
ethyl 4-bromo-5-(2-bromobenzoyloxy)-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

1486-0323

Molecular Formula

C20H14Br2O6 (C20 H14 Br2 O6)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c1c(C=O)oc(c(C)c2)c1c(Br)c2OC(c(cccc1)c1Br)=O)=O

InChI

InChI=1S/C20H14Br2O6/c1-3-26-20(25)15-14(9-23)27-18-10(2)8-13(17(22)16(15)18)28-19(24)11-6-4-5-7-12(11)21/h4-9H,3H2,1-2H3

InChI Key

YKNLPVVBVUTKSL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01531425

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.14

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.932

Distribution Coefficient, logD

4.932

Water Solubility, LogSw

-4.95

Polar Surface Area

63.545

Acid Dissociation Constant (pKa)

26.89

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

1486-0323 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 1486-0323 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1486-0323?
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What is the minimum amount of 1486-0323 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1486-0323
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1486-0323
  • 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 1486-0323 available by request