C499-0089 Screening compound: 3-(2-fluorophenyl)-8-(2-methylphenyl)-6-oxo-2H,3H,4H,6H,7H,8H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile

C499-0089 Screening compound: 3-(2-fluorophenyl)-8-(2-methylphenyl)-6-oxo-2H,3H,4H,6H,7H,8H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
C499-0089 Screening compound: 3-(2-fluorophenyl)-8-(2-methylphenyl)-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 C499-0089
3-(2-fluorophenyl)-8-(2-methylphenyl)-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

C499-0089

Molecular Formula

C21H18FN3OS (C21 H18 FN3 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(C(CC(N2C3)=O)C(C#N)=C2SCN3c(cccc2)c2F)cccc1

InChI

InChI=1S/C21H18FN3OS/c1-14-6-2-3-7-15(14)16-10-20(26)25-12-24(13-27-21(25)17(16)11-23)19-9-5-4-8-18(19)22/h2-9,16H,10,12-13H2,1H3/t16-/m1/s1

InChI Key

VWYBTJCIPJTXGY-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD14762379

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.46

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

4.428

Distribution Coefficient, logD

4.428

Water Solubility, LogSw

-4.28

Polar Surface Area

37.474

Acid Dissociation Constant (pKa)

18.86

Base Dissociation Constant (pKb)

-1.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with C499-0089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C499-0089?
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What is the minimum amount of C499-0089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C499-0089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C499-0089
  • 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 C499-0089 available by request