C499-0188 Screening compound: 3-(4-chlorophenyl)-8-(4-ethoxyphenyl)-6-oxo-2H,3H,4H,6H,7H,8H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile

C499-0188 Screening compound: 3-(4-chlorophenyl)-8-(4-ethoxyphenyl)-6-oxo-2H,3H,4H,6H,7H,8H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
C499-0188 Screening compound: 3-(4-chlorophenyl)-8-(4-ethoxyphenyl)-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 C499-0188
3-(4-chlorophenyl)-8-(4-ethoxyphenyl)-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

C499-0188

Molecular Formula

C22H20ClN3O2S (C22 H20 ClN3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc1ccc(C(CC(N2C3)=O)C(C#N)=C2SCN3c(cc2)ccc2Cl)cc1

InChI

InChI=1S/C22H20ClN3O2S/c1-2-28-18-9-3-15(4-10-18)19-11-21(27)26-13-25(14-29-22(26)20(19)12-24)17-7-5-16(23)6-8-17/h3-10,19H,2,11,13-14H2,1H3/t19-/m1/s1

InChI Key

OPZLWRDTFDDGQS-LJQANCHMSA-N

MDL Number (MFCD)

MFCD10087866

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.94

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

5.067

Distribution Coefficient, logD

5.067

Water Solubility, LogSw

-5.34

Polar Surface Area

44.898

Acid Dissociation Constant (pKa)

18.86

Base Dissociation Constant (pKb)

-1.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with C499-0188 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 C499-0188
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Delivery formats for C499-0188
  • 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 C499-0188 available by request