4920-0251 Screening compound: (5E)-5-[(1H-indol-3-yl)methylidene]-1-(prop-2-en-1-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione

4920-0251 Screening compound: (5E)-5-[(1H-indol-3-yl)methylidene]-1-(prop-2-en-1-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione
4920-0251 Screening compound: (5E)-5-[(1H-indol-3-yl)methylidene]-1-(prop-2-en-1-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4920-0251
(5E)-5-[(1H-indol-3-yl)methylidene]-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

4920-0251

Molecular Formula

C16H13N3O2S (C16 H13 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

C=CCN(C(/C(/C(N1)=O)=C/c2c[nH]c3c2cccc3)=O)C1=S

InChI

InChI=1S/C16H13N3O2S/c1-2-7-19-15(21)12(14(20)18-16(19)22)8-10-9-17-13-6-4-3-5-11(10)13/h2-6,8-9,17H,1,7H2,(H,18,20,22)

InChI Key

VXMGPKBTOCZHBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05041652

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.179

Distribution Coefficient, logD

2.011

Water Solubility, LogSw

-2.71

Polar Surface Area

50.961

Acid Dissociation Constant (pKa)

7.73

Base Dissociation Constant (pKb)

-3.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

References: we are preparing a list of scientific research reports with 4920-0251 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4920-0251?
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What is the minimum amount of 4920-0251 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4920-0251
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4920-0251
  • 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 4920-0251 available by request