4920-0269 Screening compound: (5E)-5-[(2E)-3-[4-(dimethylamino)phenyl]prop-2-en-1-ylidene]-1-(prop-2-en-1-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione

4920-0269 Screening compound: (5E)-5-[(2E)-3-[4-(dimethylamino)phenyl]prop-2-en-1-ylidene]-1-(prop-2-en-1-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione
4920-0269 Screening compound: (5E)-5-[(2E)-3-[4-(dimethylamino)phenyl]prop-2-en-1-ylidene]-1-(prop-2-en-1-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4920-0269
(5E)-5-[(2E)-3-[4-(dimethylamino)phenyl]prop-2-en-1-ylidene]-1-(prop-2-en-1-yl)-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

4920-0269

Molecular Formula

C18H19N3O2S (C18 H19 N3 O2 S)

Compound Name

(5E)-5-[(2E)-3-[4-(dimethylamino)phenyl]prop-2-en-1-ylidene]-1-(prop-2-en-1-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione

IUPAC name

(5E)-5-[(2E)-3-[4-(dimethylamino)phenyl]prop-2-en-1-ylidene]-1-(prop-2-en-1-yl)-2-sulfanylidene-13-diazinane-46-dione

SMILES

CN(C)c1ccc(/C=C/C=C(\C(NC(N2CC=C)=S)=O)/C2=O)cc1

InChI

InChI=1S/C18H19N3O2S/c1-4-12-21-17(23)15(16(22)19-18(21)24)7-5-6-13-8-10-14(11-9-13)20(2)3/h4-11H,1,12H2,2-3H3,(H,19,22,24)

InChI Key

JVMMSFURFCQBOS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14710264

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.851

Distribution Coefficient, logD

2.204

Water Solubility, LogSw

-3.40

Polar Surface Area

43.894

Acid Dissociation Constant (pKa)

6.86

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with 4920-0269 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4920-0269?
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What is the minimum amount of 4920-0269 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4920-0269
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4920-0269
  • 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 4920-0269 available by request