3684-0374 Screening compound: 5-[(2-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione

3684-0374 Screening compound: 5-[(2-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
3684-0374 Screening compound: 5-[(2-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3684-0374
5-[(2-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-1,3-dimethyl-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

3684-0374

Molecular Formula

C15H15BrN2O4S (C15 H15 BrN2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(c(O)c1)cc(C=C(C(N(C)C(N2C)=S)=O)C2=O)c1Br

InChI

InChI=1S/C15H15BrN2O4S/c1-4-22-12-6-8(10(16)7-11(12)19)5-9-13(20)17(2)15(23)18(3)14(9)21/h5-7,19H,4H2,1-3H3

InChI Key

GVGQTIUFQAMFRB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02609167

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.27

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.460

Distribution Coefficient, logD

1.445

Water Solubility, LogSw

-1.75

Polar Surface Area

55.576

Acid Dissociation Constant (pKa)

8.85

Base Dissociation Constant (pKb)

-10.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

References: we are preparing a list of scientific research reports with 3684-0374 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3684-0374?
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What is the minimum amount of 3684-0374 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3684-0374
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3684-0374
  • 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 3684-0374 available by request