3619-0238 Screening compound: 5-{[5-bromo-2-(2-methylpropoxy)phenyl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione

3619-0238 Screening compound: 5-{[5-bromo-2-(2-methylpropoxy)phenyl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
3619-0238 Screening compound: 5-{[5-bromo-2-(2-methylpropoxy)phenyl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3619-0238
5-{[5-bromo-2-(2-methylpropoxy)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

3619-0238

Molecular Formula

C15H15BrN2O3S (C15 H15 BrN2 O3 S)

Compound Name

5-{[5-bromo-2-(2-methylpropoxy)phenyl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione

IUPAC name

5-{[5-bromo-2-(2-methylpropoxy)phenyl]methylidene}-2-sulfanylidene-13-diazinane-46-dione

SMILES

CC(C)COc(cc1)c(C=C(C(NC(N2)=S)=O)C2=O)cc1Br

InChI

InChI=1S/C15H15BrN2O3S/c1-8(2)7-21-12-4-3-10(16)5-9(12)6-11-13(19)17-15(22)18-14(11)20/h3-6,8H,7H2,1-2H3,(H2,17,18,19,20,22)

InChI Key

PRMJHKSKWDXHTD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14708568

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.27

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.372

Distribution Coefficient, logD

4.110

Water Solubility, LogSw

-4.36

Polar Surface Area

57.212

Acid Dissociation Constant (pKa)

7.48

Base Dissociation Constant (pKb)

-10.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

References: we are preparing a list of scientific research reports with 3619-0238 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3619-0238?
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What is the minimum amount of 3619-0238 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3619-0238
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3619-0238
  • 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 3619-0238 available by request