C499-0583 Screening compound: 3-cyclohexyl-8-(2,3-dimethoxyphenyl)-6-oxo-2H,3H,4H,6H,7H,8H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile

C499-0583 Screening compound: 3-cyclohexyl-8-(2,3-dimethoxyphenyl)-6-oxo-2H,3H,4H,6H,7H,8H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
C499-0583 Screening compound: 3-cyclohexyl-8-(2,3-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 C499-0583
3-cyclohexyl-8-(2,3-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

C499-0583

Molecular Formula

C22H27N3O3S (C22 H27 N3 O3 S)

Compound Name

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

IUPAC name

3-cyclohexyl-8-(23-dimethoxyphenyl)-6-oxo-2H3H4H6H7H8H-pyrido[21-b][135]thiadiazine-9-carbonitrile

SMILES

COc1cccc(C(CC(N2C3)=O)C(C#N)=C2SCN3C2CCCCC2)c1OC

InChI

InChI=1S/C22H27N3O3S/c1-27-19-10-6-9-16(21(19)28-2)17-11-20(26)25-13-24(15-7-4-3-5-8-15)14-29-22(25)18(17)12-23/h6,9-10,15,17H,3-5,7-8,11,13-14H2,1-2H3/t17-/m1/s1

InChI Key

RDLMISJONDMDFD-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD10087409

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

3.901

Distribution Coefficient, logD

3.901

Water Solubility, LogSw

-3.99

Polar Surface Area

52.955

Acid Dissociation Constant (pKa)

18.86

Base Dissociation Constant (pKb)

4.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.50

References: we are preparing a list of scientific research reports with C499-0583 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C499-0583
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  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C499-0583
  • 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 C499-0583 available by request