C499-1027 Screening compound: 8-[4-(benzyloxy)-3-methoxyphenyl]-3-(2-methylphenyl)-6-oxo-2H,3H,4H,6H,7H,8H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile

C499-1027 Screening compound: 8-[4-(benzyloxy)-3-methoxyphenyl]-3-(2-methylphenyl)-6-oxo-2H,3H,4H,6H,7H,8H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
C499-1027 Screening compound: 8-[4-(benzyloxy)-3-methoxyphenyl]-3-(2-methylphenyl)-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 C499-1027
8-[4-(benzyloxy)-3-methoxyphenyl]-3-(2-methylphenyl)-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

C499-1027

Molecular Formula

C29H27N3O3S (C29 H27 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cccc1)c1N(CN1C(CC2c(cc3)cc(OC)c3OCc3ccccc3)=O)CSC1=C2C#N

InChI

InChI=1S/C29H27N3O3S/c1-20-8-6-7-11-25(20)31-18-32-28(33)15-23(24(16-30)29(32)36-19-31)22-12-13-26(27(14-22)34-2)35-17-21-9-4-3-5-10-21/h3-14,23H,15,17-19H2,1-2H3/t23-/m1/s1

InChI Key

FRRTYRALMKEJMH-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD10087686

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.62

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.609

Distribution Coefficient, logD

5.609

Water Solubility, LogSw

-5.45

Polar Surface Area

52.418

Acid Dissociation Constant (pKa)

18.86

Base Dissociation Constant (pKb)

-0.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.10

C499-1027 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with C499-1027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C499-1027?
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What is the minimum amount of C499-1027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C499-1027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C499-1027
  • 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 C499-1027 available by request