3288-0077 Screening compound: (5Z)-1-(4-bromophenyl)-5-[(2-methoxynaphthalen-1-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

3288-0077 Screening compound: (5Z)-1-(4-bromophenyl)-5-[(2-methoxynaphthalen-1-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
3288-0077 Screening compound: (5Z)-1-(4-bromophenyl)-5-[(2-methoxynaphthalen-1-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3288-0077
(5Z)-1-(4-bromophenyl)-5-[(2-methoxynaphthalen-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

3288-0077

Molecular Formula

C22H15BrN2O3S (C22 H15 BrN2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

COc1c(/C=C(/C(NC(N2c(cc3)ccc3Br)=S)=O)\C2=O)c2ccccc2cc1

InChI

InChI=1S/C22H15BrN2O3S/c1-28-19-11-6-13-4-2-3-5-16(13)17(19)12-18-20(26)24-22(29)25(21(18)27)15-9-7-14(23)8-10-15/h2-12H,1H3,(H,24,26,29)

InChI Key

FXWBWWZNMNDZAV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01835908

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.580

Distribution Coefficient, logD

4.142

Water Solubility, LogSw

-4.96

Polar Surface Area

47.587

Acid Dissociation Constant (pKa)

7.16

Base Dissociation Constant (pKb)

-9.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

References: we are preparing a list of scientific research reports with 3288-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3288-0077?
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What is the minimum amount of 3288-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3288-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3288-0077
  • 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 3288-0077 available by request