C499-0937 Screening compound: 3-(3,4-dimethylphenyl)-8-(2-methoxynaphthalen-1-yl)-6-oxo-2H,3H,4H,6H,7H,8H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile

C499-0937 Screening compound: 3-(3,4-dimethylphenyl)-8-(2-methoxynaphthalen-1-yl)-6-oxo-2H,3H,4H,6H,7H,8H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
C499-0937 Screening compound: 3-(3,4-dimethylphenyl)-8-(2-methoxynaphthalen-1-yl)-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 C499-0937
3-(3,4-dimethylphenyl)-8-(2-methoxynaphthalen-1-yl)-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

C499-0937

Molecular Formula

C27H25N3O2S (C27 H25 N3 O2 S)

Compound Name

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

IUPAC name

3-(34-dimethylphenyl)-8-(2-methoxynaphthalen-1-yl)-6-oxo-2H3H4H6H7H8H-pyrido[21-b][135]thiadiazine-9-carbonitrile

SMILES

Cc(cc1)c(C)cc1N(CN1C(CC2c(c3ccccc3cc3)c3OC)=O)CSC1=C2C#N

InChI

InChI=1S/C27H25N3O2S/c1-17-8-10-20(12-18(17)2)29-15-30-25(31)13-22(23(14-28)27(30)33-16-29)26-21-7-5-4-6-19(21)9-11-24(26)32-3/h4-12,22H,13,15-16H2,1-3H3/t22-/m0/s1

InChI Key

OCFZORFBEYDWPD-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD10087618

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.175

Distribution Coefficient, logD

6.175

Water Solubility, LogSw

-6.75

Polar Surface Area

45.133

Acid Dissociation Constant (pKa)

18.55

Base Dissociation Constant (pKb)

3.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

References: we are preparing a list of scientific research reports with C499-0937 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 C499-0937
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  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C499-0937
  • 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 C499-0937 available by request