C499-0936 Screening compound: 8-(2-methoxynaphthalen-1-yl)-3-(4-methoxyphenyl)-6-oxo-2H,3H,4H,6H,7H,8H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile

C499-0936 Screening compound: 8-(2-methoxynaphthalen-1-yl)-3-(4-methoxyphenyl)-6-oxo-2H,3H,4H,6H,7H,8H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
C499-0936 Screening compound: 8-(2-methoxynaphthalen-1-yl)-3-(4-methoxyphenyl)-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 C499-0936
8-(2-methoxynaphthalen-1-yl)-3-(4-methoxyphenyl)-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

C499-0936

Molecular Formula

C26H23N3O3S (C26 H23 N3 O3 S)

Compound Name

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

IUPAC name

8-(2-methoxynaphthalen-1-yl)-3-(4-methoxyphenyl)-6-oxo-2H3H4H6H7H8H-pyrido[21-b][135]thiadiazine-9-carbonitrile

SMILES

COc(cc1)ccc1N(CN1C(CC2c(c3ccccc3cc3)c3OC)=O)CSC1=C2C#N

InChI

InChI=1S/C26H23N3O3S/c1-31-19-10-8-18(9-11-19)28-15-29-24(30)13-21(22(14-27)26(29)33-16-28)25-20-6-4-3-5-17(20)7-12-23(25)32-2/h3-12,21H,13,15-16H2,1-2H3/t21-/m0/s1

InChI Key

TUNIWOJSCOUZNF-NRFANRHFSA-N

MDL Number (MFCD)

MFCD06597948

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.202

Distribution Coefficient, logD

5.202

Water Solubility, LogSw

-6.06

Polar Surface Area

52.677

Acid Dissociation Constant (pKa)

18.55

Base Dissociation Constant (pKb)

4.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

References: we are preparing a list of scientific research reports with C499-0936 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 C499-0936
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C499-0936
  • 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 C499-0936 available by request