C499-0196 Screening compound: 8-(4-ethylphenyl)-3-[(furan-2-yl)methyl]-6-oxo-2H,3H,4H,6H,7H,8H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile

C499-0196 Screening compound: 8-(4-ethylphenyl)-3-[(furan-2-yl)methyl]-6-oxo-2H,3H,4H,6H,7H,8H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
C499-0196 Screening compound: 8-(4-ethylphenyl)-3-[(furan-2-yl)methyl]-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 C499-0196
8-(4-ethylphenyl)-3-[(furan-2-yl)methyl]-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

C499-0196

Molecular Formula

C21H21N3O2S (C21 H21 N3 O2 S)

Compound Name

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

IUPAC name

8-(4-ethylphenyl)-3-[(furan-2-yl)methyl]-6-oxo-2H3H4H6H7H8H-pyrido[21-b][135]thiadiazine-9-carbonitrile

SMILES

CCc1ccc(C(C2)C(C#N)=C3SCN(Cc4ccco4)CN3C2=O)cc1

InChI

InChI=1S/C21H21N3O2S/c1-2-15-5-7-16(8-6-15)18-10-20(25)24-13-23(12-17-4-3-9-26-17)14-27-21(24)19(18)11-22/h3-9,18H,2,10,12-14H2,1H3/t18-/m1/s1

InChI Key

LGXBTUATAPLVHF-GOSISDBHSA-N

MDL Number (MFCD)

MFCD14762387

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.044

Distribution Coefficient, logD

4.044

Water Solubility, LogSw

-3.83

Polar Surface Area

45.804

Acid Dissociation Constant (pKa)

18.86

Base Dissociation Constant (pKb)

2.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with C499-0196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C499-0196?
Check Price and Availability of C499-0196, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C499-0196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C499-0196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C499-0196
  • 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 C499-0196 available by request