C499-0698 Screening compound: 8-(4-nitrophenyl)-6-oxo-3-phenyl-2H,3H,4H,6H,7H,8H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile

C499-0698 Screening compound: 8-(4-nitrophenyl)-6-oxo-3-phenyl-2H,3H,4H,6H,7H,8H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
C499-0698 Screening compound: 8-(4-nitrophenyl)-6-oxo-3-phenyl-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 C499-0698
8-(4-nitrophenyl)-6-oxo-3-phenyl-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

C499-0698

Molecular Formula

C20H16N4O3S (C20 H16 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

N#CC(C(CC(N1C2)=O)c(cc3)ccc3[N+]([O-])=O)=C1SCN2c1ccccc1

InChI

InChI=1S/C20H16N4O3S/c21-11-18-17(14-6-8-16(9-7-14)24(26)27)10-19(25)23-12-22(13-28-20(18)23)15-4-2-1-3-5-15/h1-9,17H,10,12-13H2/t17-/m1/s1

InChI Key

PPLIPZOYPDNPCJ-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD10087417

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.908

Distribution Coefficient, logD

3.908

Water Solubility, LogSw

-4.11

Polar Surface Area

71.156

Acid Dissociation Constant (pKa)

18.86

Base Dissociation Constant (pKb)

-0.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with C499-0698 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C499-0698?
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What is the minimum amount of C499-0698 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C499-0698
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C499-0698
  • 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 C499-0698 available by request