C499-0020 Screening compound: 8-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)-6-oxo-2H,3H,4H,6H,7H,8H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile

C499-0020 Screening compound: 8-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)-6-oxo-2H,3H,4H,6H,7H,8H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
C499-0020 Screening compound: 8-(3,4-dimethoxyphenyl)-3-(4-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 C499-0020
8-(3,4-dimethoxyphenyl)-3-(4-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

C499-0020

Molecular Formula

C23H23N3O3S (C23 H23 N3 O3 S)

Compound Name

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

IUPAC name

8-(34-dimethoxyphenyl)-3-(4-methylphenyl)-6-oxo-2H3H4H6H7H8H-pyrido[21-b][135]thiadiazine-9-carbonitrile

SMILES

Cc(cc1)ccc1N(CN1C(CC2c(cc3)cc(OC)c3OC)=O)CSC1=C2C#N

InChI

InChI=1S/C23H23N3O3S/c1-15-4-7-17(8-5-15)25-13-26-22(27)11-18(19(12-24)23(26)30-14-25)16-6-9-20(28-2)21(10-16)29-3/h4-10,18H,11,13-14H2,1-3H3/t18-/m1/s1

InChI Key

OLRJODYIQUWJNG-GOSISDBHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.226

Distribution Coefficient, logD

4.226

Water Solubility, LogSw

-4.34

Polar Surface Area

53.035

Acid Dissociation Constant (pKa)

18.86

Base Dissociation Constant (pKb)

3.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with C499-0020 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 C499-0020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C499-0020
  • 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 C499-0020 available by request