3288-0078 Screening compound: (5Z)-1-(4-bromophenyl)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

3288-0078 Screening compound: (5Z)-1-(4-bromophenyl)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
3288-0078 Screening compound: (5Z)-1-(4-bromophenyl)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3288-0078
(5Z)-1-(4-bromophenyl)-5-[(2-ethoxynaphthalen-1-yl)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

3288-0078

Molecular Formula

C23H17BrN2O3S (C23 H17 BrN2 O3 S)

Compound Name

(5Z)-1-(4-bromophenyl)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

IUPAC name

(5Z)-1-(4-bromophenyl)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-2-sulfanylidene-13-diazinane-46-dione

SMILES

CCOc1c(/C=C(/C(NC(N2c(cc3)ccc3Br)=S)=O)\C2=O)c2ccccc2cc1

InChI

InChI=1S/C23H17BrN2O3S/c1-2-29-20-12-7-14-5-3-4-6-17(14)18(20)13-19-21(27)25-23(30)26(22(19)28)16-10-8-15(24)9-11-16/h3-13H,2H2,1H3,(H,25,27,30)

InChI Key

NMPBZOVYNFAYDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01835918

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.969

Distribution Coefficient, logD

4.530

Water Solubility, LogSw

-5.50

Polar Surface Area

47.167

Acid Dissociation Constant (pKa)

7.16

Base Dissociation Constant (pKb)

-9.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

References: we are preparing a list of scientific research reports with 3288-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3288-0078?
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What is the minimum amount of 3288-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3288-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3288-0078
  • 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 3288-0078 available by request