D006-0300 Screening compound: 8-(4-ethoxyphenyl)-6-oxo-3-(2-phenylethyl)-2H,3H,4H,6H,7H,8H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile

D006-0300 Screening compound: 8-(4-ethoxyphenyl)-6-oxo-3-(2-phenylethyl)-2H,3H,4H,6H,7H,8H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
D006-0300 Screening compound: 8-(4-ethoxyphenyl)-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 D006-0300
8-(4-ethoxyphenyl)-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

D006-0300

Molecular Formula

C24H25N3O2S (C24 H25 N3 O2 S)

Compound Name

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

SMILES

CCOc1ccc(C(C2)C(C#N)=C3SCN(CCc4ccccc4)CN3C2=O)cc1

InChI

InChI=1S/C24H25N3O2S/c1-2-29-20-10-8-19(9-11-20)21-14-23(28)27-16-26(17-30-24(27)22(21)15-25)13-12-18-6-4-3-5-7-18/h3-11,21H,2,12-14,16-17H2,1H3/t21-/m1/s1

InChI Key

GDCSISJTWSOCDM-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD10086934

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.298

Distribution Coefficient, logD

4.298

Water Solubility, LogSw

-4.07

Polar Surface Area

45.157

Acid Dissociation Constant (pKa)

18.86

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with D006-0300 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 D006-0300
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D006-0300
  • 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 D006-0300 available by request