C499-0012 Screening compound: 3-(2,4-dimethoxyphenyl)-8-(3,4-dimethoxyphenyl)-6-oxo-2H,3H,4H,6H,7H,8H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile

C499-0012 Screening compound: 3-(2,4-dimethoxyphenyl)-8-(3,4-dimethoxyphenyl)-6-oxo-2H,3H,4H,6H,7H,8H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
C499-0012 Screening compound: 3-(2,4-dimethoxyphenyl)-8-(3,4-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 C499-0012
3-(2,4-dimethoxyphenyl)-8-(3,4-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

C499-0012

Molecular Formula

C24H25N3O5S (C24 H25 N3 O5 S)

Compound Name

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

IUPAC name

3-(24-dimethoxyphenyl)-8-(34-dimethoxyphenyl)-6-oxo-2H3H4H6H7H8H-pyrido[21-b][135]thiadiazine-9-carbonitrile

SMILES

COc(cc1)cc(OC)c1N(CN1C(CC2c(cc3)cc(OC)c3OC)=O)CSC1=C2C#N

InChI

InChI=1S/C24H25N3O5S/c1-29-16-6-7-19(21(10-16)31-3)26-13-27-23(28)11-17(18(12-25)24(27)33-14-26)15-5-8-20(30-2)22(9-15)32-4/h5-10,17H,11,13-14H2,1-4H3/t17-/m1/s1

InChI Key

XCAOZCIANIBJEK-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD06605434

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.672

Distribution Coefficient, logD

3.672

Water Solubility, LogSw

-4.10

Polar Surface Area

67.909

Acid Dissociation Constant (pKa)

18.86

Base Dissociation Constant (pKb)

4.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

C499-0012 in Drug Discovery

Included in Screening Libraries

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C499-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C499-0012?
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What is the minimum amount of C499-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C499-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C499-0012
  • 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 C499-0012 available by request