8014-8007 Screening compound: N~1a~-benzyl-6-bromo-1-(4-bromobenzoyl)-1-methyl-2-oxo-1,7b-dihydrocyclopropa[c]chromene-1a(2H)-carboxamide

8014-8007 Screening compound: N~1a~-benzyl-6-bromo-1-(4-bromobenzoyl)-1-methyl-2-oxo-1,7b-dihydrocyclopropa[c]chromene-1a(2H)-carboxamide
8014-8007 Screening compound: N~1a~-benzyl-6-bromo-1-(4-bromobenzoyl)-1-methyl-2-oxo-1,7b-dihydrocyclopropa[c]chromene-1a(2H)-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-8007
N~1a~-benzyl-6-bromo-1-(4-bromobenzoyl)-1-methyl-2-oxo-1,7b-dihydrocyclopropa[c]chromene-1a(2H)-carboxamide

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

8014-8007

Molecular Formula

C26H19Br2NO4 (C26 H19 Br2 NO4)

Compound Name

N~1a~-benzyl-6-bromo-1-(4-bromobenzoyl)-1-methyl-2-oxo-1,7b-dihydrocyclopropa[c]chromene-1a(2H)-carboxamide

IUPAC name

N-benzyl-10-bromo-3-(4-bromobenzoyl)-3-methyl-5-oxo-6-oxatricyclo[5.4.0.0^{24}]undeca-1(7)810-triene-4-carboxamide

SMILES

CC(C1c(cc(cc2)Br)c2O2)(C1(C(NCc1ccccc1)=O)C2=O)C(c(cc1)ccc1Br)=O

InChI

InChI=1S/C26H19Br2NO4/c1-25(22(30)16-7-9-17(27)10-8-16)21-19-13-18(28)11-12-20(19)33-24(32)26(21,25)23(31)29-14-15-5-3-2-4-6-15/h2-13,21H,14H2,1H3,(H,29,31)

InChI Key

LOFPTEJKGLARMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03820083

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

569.25

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.160

Distribution Coefficient, logD

6.156

Water Solubility, LogSw

-5.62

Polar Surface Area

59.292

Acid Dissociation Constant (pKa)

9.46

Base Dissociation Constant (pKb)

-4.10

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

19.23

References: we are preparing a list of scientific research reports with 8014-8007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-8007?
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What is the minimum amount of 8014-8007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-8007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-8007
  • 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 8014-8007 available by request