C499-0590 Screening compound: 8-(2,3-dimethoxyphenyl)-6-oxo-3-phenyl-2H,3H,4H,6H,7H,8H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile

C499-0590 Screening compound: 8-(2,3-dimethoxyphenyl)-6-oxo-3-phenyl-2H,3H,4H,6H,7H,8H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
C499-0590 Screening compound: 8-(2,3-dimethoxyphenyl)-6-oxo-3-phenyl-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 C499-0590
8-(2,3-dimethoxyphenyl)-6-oxo-3-phenyl-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

C499-0590

Molecular Formula

C22H21N3O3S (C22 H21 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(C(CC(N2C3)=O)C(C#N)=C2SCN3c2ccccc2)c1OC

InChI

InChI=1S/C22H21N3O3S/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/h3-10,17H,11,13-14H2,1-2H3/t17-/m1/s1

InChI Key

BRLJCNOYHPSOLN-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD06607223

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.49

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

3.921

Distribution Coefficient, logD

3.921

Water Solubility, LogSw

-4.10

Polar Surface Area

53.122

Acid Dissociation Constant (pKa)

18.86

Base Dissociation Constant (pKb)

-0.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with C499-0590 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C499-0590?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C499-0590
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C499-0590
  • 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 C499-0590 available by request