5059-0298 Screening compound: ethyl 1-benzoyl-6-bromo-1-ethyl-2-oxo-1,7b-dihydrocyclopropa[c]chromene-1a(2H)-carboxylate

5059-0298 Screening compound: ethyl 1-benzoyl-6-bromo-1-ethyl-2-oxo-1,7b-dihydrocyclopropa[c]chromene-1a(2H)-carboxylate
5059-0298 Screening compound: ethyl 1-benzoyl-6-bromo-1-ethyl-2-oxo-1,7b-dihydrocyclopropa[c]chromene-1a(2H)-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5059-0298
ethyl 1-benzoyl-6-bromo-1-ethyl-2-oxo-1,7b-dihydrocyclopropa[c]chromene-1a(2H)-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

5059-0298

Molecular Formula

C22H19BrO5 (C22 H19 BrO5)

Compound Name

ethyl 1-benzoyl-6-bromo-1-ethyl-2-oxo-1,7b-dihydrocyclopropa[c]chromene-1a(2H)-carboxylate

IUPAC name

ethyl 3-benzoyl-10-bromo-3-ethyl-5-oxo-6-oxatricyclo[5.4.0.0^{24}]undeca-1(7)810-triene-4-carboxylate

SMILES

CCC(C1c(cc(cc2)Br)c2O2)(C1(C(OCC)=O)C2=O)C(c1ccccc1)=O

InChI

InChI=1S/C22H19BrO5/c1-3-21(18(24)13-8-6-5-7-9-13)17-15-12-14(23)10-11-16(15)28-20(26)22(17,21)19(25)27-4-2/h5-12,17H,3-4H2,1-2H3

InChI Key

SREZMYOWPYEYBU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03448297

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.29

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.031

Distribution Coefficient, logD

5.024

Water Solubility, LogSw

-4.76

Polar Surface Area

55.632

Acid Dissociation Constant (pKa)

9.17

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

31.80

5059-0298 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5059-0298 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5059-0298?
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What is the minimum amount of 5059-0298 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5059-0298
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5059-0298
  • 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 5059-0298 available by request