D006-0166 Screening compound: 8-(4-methylphenyl)-6-oxo-3-(2-phenylethyl)-2H,3H,4H,6H,7H,8H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile

D006-0166 Screening compound: 8-(4-methylphenyl)-6-oxo-3-(2-phenylethyl)-2H,3H,4H,6H,7H,8H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
D006-0166 Screening compound: 8-(4-methylphenyl)-6-oxo-3-(2-phenylethyl)-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 D006-0166
8-(4-methylphenyl)-6-oxo-3-(2-phenylethyl)-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

D006-0166

Molecular Formula

C23H23N3OS (C23 H23 N3 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(C(C2)C(C#N)=C3SCN(CCc4ccccc4)CN3C2=O)cc1

InChI

InChI=1S/C23H23N3OS/c1-17-7-9-19(10-8-17)20-13-22(27)26-15-25(16-28-23(26)21(20)14-24)12-11-18-5-3-2-4-6-18/h2-10,20H,11-13,15-16H2,1H3/t20-/m1/s1

InChI Key

LAUAWHHQOCCPFR-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD10086935

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.353

Distribution Coefficient, logD

4.353

Water Solubility, LogSw

-4.23

Polar Surface Area

38.033

Acid Dissociation Constant (pKa)

18.86

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with D006-0166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D006-0166?
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What is the minimum amount of D006-0166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D006-0166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D006-0166
  • 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 D006-0166 available by request