8016-1744 Screening compound: (E)-2-bromo-1-(4-bromophenyl)-1-propenyl 1-(4-bromobenzoyl)-1-methyl-2-oxo-1,7b-dihydrocyclopropa[c]chromene-1a(2H)-carboxylate

8016-1744 Screening compound: (E)-2-bromo-1-(4-bromophenyl)-1-propenyl 1-(4-bromobenzoyl)-1-methyl-2-oxo-1,7b-dihydrocyclopropa[c]chromene-1a(2H)-carboxylate
8016-1744 Screening compound: (E)-2-bromo-1-(4-bromophenyl)-1-propenyl 1-(4-bromobenzoyl)-1-methyl-2-oxo-1,7b-dihydrocyclopropa[c]chromene-1a(2H)-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-1744
(E)-2-bromo-1-(4-bromophenyl)-1-propenyl 1-(4-bromobenzoyl)-1-methyl-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

8016-1744

Molecular Formula

C28H19Br3O5 (C28 H19 Br3 O5)

Compound Name

(E)-2-bromo-1-(4-bromophenyl)-1-propenyl 1-(4-bromobenzoyl)-1-methyl-2-oxo-1,7b-dihydrocyclopropa[c]chromene-1a(2H)-carboxylate

IUPAC name

2-bromo-1-(4-bromophenyl)prop-1-en-1-yl 3-(4-bromobenzoyl)-3-methyl-5-oxo-6-oxatricyclo[5.4.0.0^{24}]undeca-1(7)810-triene-4-carboxylate

SMILES

CC(C1c(cccc2)c2O2)(C1(C(OC(c(cc1)ccc1Br)=C(C)Br)=O)C2=O)C(c(cc1)ccc1Br)=O

InChI

InChI=1S/C28H19Br3O5/c1-15(29)22(16-7-11-18(30)12-8-16)36-26(34)28-23(20-5-3-4-6-21(20)35-25(28)33)27(28,2)24(32)17-9-13-19(31)14-10-17/h3-14,23H,1-2H3

InChI Key

ITCWJECYXNFHCJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05854463

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

675.17

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

8.029

Distribution Coefficient, logD

8.027

Water Solubility, LogSw

-6.04

Polar Surface Area

54.891

Acid Dissociation Constant (pKa)

9.85

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

17.86

References: we are preparing a list of scientific research reports with 8016-1744 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-1744?
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What is the minimum amount of 8016-1744 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-1744
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-1744
  • 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 8016-1744 available by request