C499-0673 Screening compound: 3-benzyl-8-(3-methoxyphenyl)-6-oxo-2H,3H,4H,6H,7H,8H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile

C499-0673 Screening compound: 3-benzyl-8-(3-methoxyphenyl)-6-oxo-2H,3H,4H,6H,7H,8H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
C499-0673 Screening compound: 3-benzyl-8-(3-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 C499-0673
3-benzyl-8-(3-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

C499-0673

Molecular Formula

C22H21N3O2S (C22 H21 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(C(C2)C(C#N)=C3SCN(Cc4ccccc4)CN3C2=O)c1

InChI

InChI=1S/C22H21N3O2S/c1-27-18-9-5-8-17(10-18)19-11-21(26)25-14-24(13-16-6-3-2-4-7-16)15-28-22(25)20(19)12-23/h2-10,19H,11,13-15H2,1H3/t19-/m1/s1

InChI Key

GTBHMKZWRGIYAA-LJQANCHMSA-N

MDL Number (MFCD)

MFCD06598582

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.49

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

3.763

Distribution Coefficient, logD

3.763

Water Solubility, LogSw

-4.08

Polar Surface Area

45.599

Acid Dissociation Constant (pKa)

18.86

Base Dissociation Constant (pKb)

3.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with C499-0673 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C499-0673?
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What is the minimum amount of C499-0673 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C499-0673
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C499-0673
  • 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 C499-0673 available by request