C499-0204 Screening compound: 8-(4-ethylphenyl)-3-(2-methylphenyl)-6-oxo-2H,3H,4H,6H,7H,8H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile

C499-0204 Screening compound: 8-(4-ethylphenyl)-3-(2-methylphenyl)-6-oxo-2H,3H,4H,6H,7H,8H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
C499-0204 Screening compound: 8-(4-ethylphenyl)-3-(2-methylphenyl)-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 C499-0204
8-(4-ethylphenyl)-3-(2-methylphenyl)-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

C499-0204

Molecular Formula

C23H23N3OS (C23 H23 N3 OS)

Compound Name

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

SMILES

CCc1ccc(C(CC(N2C3)=O)C(C#N)=C2SCN3c2c(C)cccc2)cc1

InChI

InChI=1S/C23H23N3OS/c1-3-17-8-10-18(11-9-17)19-12-22(27)26-14-25(15-28-23(26)20(19)13-24)21-7-5-4-6-16(21)2/h4-11,19H,3,12,14-15H2,1-2H3/t19-/m1/s1

InChI Key

YWRAGWHZOBPXGZ-LJQANCHMSA-N

MDL Number (MFCD)

MFCD10087964

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.300

Distribution Coefficient, logD

5.300

Water Solubility, LogSw

-5.19

Polar Surface Area

37.474

Acid Dissociation Constant (pKa)

18.86

Base Dissociation Constant (pKb)

-0.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with C499-0204 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C499-0204?
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What is the minimum amount of C499-0204 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C499-0204
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C499-0204
  • 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 C499-0204 available by request