C499-0718 Screening compound: 3-cyclohexyl-8-(2,4-dimethoxyphenyl)-6-oxo-2H,3H,4H,6H,7H,8H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile

C499-0718 Screening compound: 3-cyclohexyl-8-(2,4-dimethoxyphenyl)-6-oxo-2H,3H,4H,6H,7H,8H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
C499-0718 Screening compound: 3-cyclohexyl-8-(2,4-dimethoxyphenyl)-6-oxo-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 C499-0718
3-cyclohexyl-8-(2,4-dimethoxyphenyl)-6-oxo-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

C499-0718

Molecular Formula

C22H27N3O3S (C22 H27 N3 O3 S)

Compound Name

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

IUPAC name

3-cyclohexyl-8-(24-dimethoxyphenyl)-6-oxo-2H3H4H6H7H8H-pyrido[21-b][135]thiadiazine-9-carbonitrile

SMILES

COc1cc(OC)c(C(CC(N2C3)=O)C(C#N)=C2SCN3C2CCCCC2)cc1

InChI

InChI=1S/C22H27N3O3S/c1-27-16-8-9-17(20(10-16)28-2)18-11-21(26)25-13-24(15-6-4-3-5-7-15)14-29-22(25)19(18)12-23/h8-10,15,18H,3-7,11,13-14H2,1-2H3/t18-/m1/s1

InChI Key

PPQMEEWLGCTCNQ-GOSISDBHSA-N

MDL Number (MFCD)

MFCD10087384

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.121

Distribution Coefficient, logD

4.120

Water Solubility, LogSw

-4.24

Polar Surface Area

52.782

Acid Dissociation Constant (pKa)

18.86

Base Dissociation Constant (pKb)

4.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.50

C499-0718 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Proteases Annotated Library (2868 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Selective Target Activity Profiling Library (14702 compounds)

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 C499-0718 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C499-0718?
Check Price and Availability of C499-0718, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C499-0718 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C499-0718
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C499-0718
  • 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 C499-0718 available by request