8009-0272 Screening compound: 5-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione

8009-0272 Screening compound: 5-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
8009-0272 Screening compound: 5-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-0272
5-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione

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

8009-0272

Molecular Formula

C26H21BrN2O4S (C26 H21 BrN2 O4 S)

Compound Name

5-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione

IUPAC name

5-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-13-diphenyl-2-sulfanylidene-13-diazinane-46-dione

SMILES

CCOc1cc(Br)c(C=C(C(N(c2ccccc2)C(N2c3ccccc3)=S)=O)C2=O)cc1OC

InChI

InChI=1S/C26H21BrN2O4S/c1-3-33-23-16-21(27)17(15-22(23)32-2)14-20-24(30)28(18-10-6-4-7-11-18)26(34)29(25(20)31)19-12-8-5-9-13-19/h4-16H,3H2,1-2H3

InChI Key

RAOUCEZBLFIFRI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01460802

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

537.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.802

Distribution Coefficient, logD

3.802

Water Solubility, LogSw

-3.97

Polar Surface Area

45.361

Acid Dissociation Constant (pKa)

29.85

Base Dissociation Constant (pKb)

-10.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

References: we are preparing a list of scientific research reports with 8009-0272 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-0272?
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What is the minimum amount of 8009-0272 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-0272
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-0272
  • 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 8009-0272 available by request