C499-0830 Screening compound: 3-(4-methylphenyl)-6-oxo-8-(thiophen-2-yl)-2H,3H,4H,6H,7H,8H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile

C499-0830 Screening compound: 3-(4-methylphenyl)-6-oxo-8-(thiophen-2-yl)-2H,3H,4H,6H,7H,8H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
C499-0830 Screening compound: 3-(4-methylphenyl)-6-oxo-8-(thiophen-2-yl)-2H,3H,4H,6H,7H,8H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound C499-0830
3-(4-methylphenyl)-6-oxo-8-(thiophen-2-yl)-2H,3H,4H,6H,7H,8H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile

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

C499-0830

Molecular Formula

C19H17N3OS2 (C19 H17 N3 OS2)

Compound Name

3-(4-methylphenyl)-6-oxo-8-(thiophen-2-yl)-2H,3H,4H,6H,7H,8H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile

IUPAC name

3-(4-methylphenyl)-6-oxo-8-(thiophen-2-yl)-2H3H4H6H7H8H-pyrido[21-b][135]thiadiazine-9-carbonitrile

SMILES

Cc(cc1)ccc1N(CN1C(CC2c3cccs3)=O)CSC1=C2C#N

InChI

InChI=1S/C19H17N3OS2/c1-13-4-6-14(7-5-13)21-11-22-18(23)9-15(17-3-2-8-24-17)16(10-20)19(22)25-12-21/h2-8,15H,9,11-12H2,1H3/t15-/m0/s1

InChI Key

AEYMVOFHFPTTBG-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD07188131

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.224

Distribution Coefficient, logD

4.224

Water Solubility, LogSw

-4.14

Polar Surface Area

38.793

Acid Dissociation Constant (pKa)

19.02

Base Dissociation Constant (pKb)

3.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

C499-0830 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Annotated Library (21441 compounds)

Human Ion Channels Annotated Library (353 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C499-0830 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C499-0830?
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What is the minimum amount of C499-0830 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C499-0830
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C499-0830
  • 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 C499-0830 available by request