4920-0627 Screening compound: 5-[(1H-indol-3-yl)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione

4920-0627 Screening compound: 5-[(1H-indol-3-yl)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
4920-0627 Screening compound: 5-[(1H-indol-3-yl)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4920-0627
5-[(1H-indol-3-yl)methylidene]-1,3-dimethyl-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

4920-0627

Molecular Formula

C15H13N3O2S (C15 H13 N3 O2 S)

Compound Name

5-[(1H-indol-3-yl)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione

IUPAC name

5-[(1H-indol-3-yl)methylidene]-13-dimethyl-2-sulfanylidene-13-diazinane-46-dione

SMILES

CN(C(C(C(N1C)=O)=Cc2c[nH]c3c2cccc3)=O)C1=S

InChI

InChI=1S/C15H13N3O2S/c1-17-13(19)11(14(20)18(2)15(17)21)7-9-8-16-12-6-4-3-5-10(9)12/h3-8,16H,1-2H3

InChI Key

RURMMLRDPYRPRU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00575982

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.232

Distribution Coefficient, logD

1.232

Water Solubility, LogSw

-2.20

Polar Surface Area

41.689

Acid Dissociation Constant (pKa)

18.18

Base Dissociation Constant (pKb)

-3.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

4920-0627 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4920-0627 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4920-0627?
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What is the minimum amount of 4920-0627 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4920-0627
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4920-0627
  • 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 4920-0627 available by request