C499-0792 Screening compound: 3-(2-ethylphenyl)-8-(3-fluorophenyl)-6-oxo-2H,3H,4H,6H,7H,8H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile

C499-0792 Screening compound: 3-(2-ethylphenyl)-8-(3-fluorophenyl)-6-oxo-2H,3H,4H,6H,7H,8H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
C499-0792 Screening compound: 3-(2-ethylphenyl)-8-(3-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 C499-0792
3-(2-ethylphenyl)-8-(3-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

C499-0792

Molecular Formula

C22H20FN3OS (C22 H20 FN3 OS)

Compound Name

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

IUPAC name

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

SMILES

CCc(cccc1)c1N(CN1C(CC2c3cc(F)ccc3)=O)CSC1=C2C#N

InChI

InChI=1S/C22H20FN3OS/c1-2-15-6-3-4-9-20(15)25-13-26-21(27)11-18(16-7-5-8-17(23)10-16)19(12-24)22(26)28-14-25/h3-10,18H,2,11,13-14H2,1H3/t18-/m1/s1

InChI Key

LPBGVYYKDRLMQU-GOSISDBHSA-N

MDL Number (MFCD)

MFCD10087778

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.824

Distribution Coefficient, logD

4.824

Water Solubility, LogSw

-4.59

Polar Surface Area

37.474

Acid Dissociation Constant (pKa)

18.86

Base Dissociation Constant (pKb)

1.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with C499-0792 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C499-0792?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C499-0792
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C499-0792
  • 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 C499-0792 available by request