C499-0118 Screening compound: 3-(3-chlorophenyl)-8-(4-fluorophenyl)-6-oxo-2H,3H,4H,6H,7H,8H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile

C499-0118 Screening compound: 3-(3-chlorophenyl)-8-(4-fluorophenyl)-6-oxo-2H,3H,4H,6H,7H,8H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
C499-0118 Screening compound: 3-(3-chlorophenyl)-8-(4-fluorophenyl)-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 C499-0118
3-(3-chlorophenyl)-8-(4-fluorophenyl)-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

C499-0118

Molecular Formula

C20H15ClFN3OS (C20 H15 ClFN3 OS)

Compound Name

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

IUPAC name

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

SMILES

N#CC(C(CC(N1C2)=O)c(cc3)ccc3F)=C1SCN2c1cccc(Cl)c1

InChI

InChI=1S/C20H15ClFN3OS/c21-14-2-1-3-16(8-14)24-11-25-19(26)9-17(13-4-6-15(22)7-5-13)18(10-23)20(25)27-12-24/h1-8,17H,9,11-12H2/t17-/m1/s1

InChI Key

WYZACLMQDHUZEB-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD14762382

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.88

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.595

Distribution Coefficient, logD

4.595

Water Solubility, LogSw

-4.84

Polar Surface Area

37.775

Acid Dissociation Constant (pKa)

18.86

Base Dissociation Constant (pKb)

-1.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with C499-0118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C499-0118?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C499-0118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C499-0118
  • 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 C499-0118 available by request