C499-0194 Screening compound: 8-(4-ethylphenyl)-3-(2-methoxyphenyl)-6-oxo-2H,3H,4H,6H,7H,8H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile

C499-0194 Screening compound: 8-(4-ethylphenyl)-3-(2-methoxyphenyl)-6-oxo-2H,3H,4H,6H,7H,8H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
C499-0194 Screening compound: 8-(4-ethylphenyl)-3-(2-methoxyphenyl)-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 C499-0194
8-(4-ethylphenyl)-3-(2-methoxyphenyl)-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

C499-0194

Molecular Formula

C23H23N3O2S (C23 H23 N3 O2 S)

Compound Name

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

IUPAC name

8-(4-ethylphenyl)-3-(2-methoxyphenyl)-6-oxo-2H3H4H6H7H8H-pyrido[21-b][135]thiadiazine-9-carbonitrile

SMILES

CCc1ccc(C(CC(N2C3)=O)C(C#N)=C2SCN3c(cccc2)c2OC)cc1

InChI

InChI=1S/C23H23N3O2S/c1-3-16-8-10-17(11-9-16)18-12-22(27)26-14-25(15-29-23(26)19(18)13-24)20-6-4-5-7-21(20)28-2/h4-11,18H,3,12,14-15H2,1-2H3/t18-/m1/s1

InChI Key

WXEZSIYCMMYNEL-GOSISDBHSA-N

MDL Number (MFCD)

MFCD14762386

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.678

Distribution Coefficient, logD

4.678

Water Solubility, LogSw

-4.32

Polar Surface Area

45.104

Acid Dissociation Constant (pKa)

18.86

Base Dissociation Constant (pKb)

2.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with C499-0194 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 C499-0194
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  • 1–2 days for small orders
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Delivery formats for C499-0194
  • 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 C499-0194 available by request