3202-0329 Screening compound: 5-[(3-bromo-5-methoxy-4-{2-[2-(prop-2-en-1-yl)phenoxy]ethoxy}phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

3202-0329 Screening compound: 5-[(3-bromo-5-methoxy-4-{2-[2-(prop-2-en-1-yl)phenoxy]ethoxy}phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
3202-0329 Screening compound: 5-[(3-bromo-5-methoxy-4-{2-[2-(prop-2-en-1-yl)phenoxy]ethoxy}phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3202-0329
5-[(3-bromo-5-methoxy-4-{2-[2-(prop-2-en-1-yl)phenoxy]ethoxy}phenyl)methylidene]-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

3202-0329

Molecular Formula

C23H21BrN2O5S (C23 H21 BrN2 O5 S)

Compound Name

5-[(3-bromo-5-methoxy-4-{2-[2-(prop-2-en-1-yl)phenoxy]ethoxy}phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

IUPAC name

5-[(3-bromo-5-methoxy-4-{2-[2-(prop-2-en-1-yl)phenoxy]ethoxy}phenyl)methylidene]-2-sulfanylidene-13-diazinane-46-dione

SMILES

COc1cc(C=C(C(NC(N2)=S)=O)C2=O)cc(Br)c1OCCOc1c(CC=C)cccc1

InChI

InChI=1S/C23H21BrN2O5S/c1-3-6-15-7-4-5-8-18(15)30-9-10-31-20-17(24)12-14(13-19(20)29-2)11-16-21(27)25-23(32)26-22(16)28/h3-5,7-8,11-13H,1,6,9-10H2,2H3,(H2,25,26,27,28,32)

InChI Key

MDJYHCOMCYXFAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02017706

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

517.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.855

Distribution Coefficient, logD

4.429

Water Solubility, LogSw

-4.67

Polar Surface Area

72.080

Acid Dissociation Constant (pKa)

7.18

Base Dissociation Constant (pKb)

-9.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

3202-0329 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 3202-0329 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3202-0329?
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What is the minimum amount of 3202-0329 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3202-0329
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3202-0329
  • 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 3202-0329 available by request