C499-1025 Screening compound: 8-[4-(benzyloxy)-3-methoxyphenyl]-3-[(furan-2-yl)methyl]-6-oxo-2H,3H,4H,6H,7H,8H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile

C499-1025 Screening compound: 8-[4-(benzyloxy)-3-methoxyphenyl]-3-[(furan-2-yl)methyl]-6-oxo-2H,3H,4H,6H,7H,8H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
C499-1025 Screening compound: 8-[4-(benzyloxy)-3-methoxyphenyl]-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 C499-1025
8-[4-(benzyloxy)-3-methoxyphenyl]-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

C499-1025

Molecular Formula

C27H25N3O4S (C27 H25 N3 O4 S)

Compound Name

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

SMILES

COc(cc(C(C1)C(C#N)=C2SCN(Cc3ccco3)CN2C1=O)cc1)c1OCc1ccccc1

InChI

InChI=1S/C27H25N3O4S/c1-32-25-12-20(9-10-24(25)34-16-19-6-3-2-4-7-19)22-13-26(31)30-17-29(15-21-8-5-11-33-21)18-35-27(30)23(22)14-28/h2-12,22H,13,15-18H2,1H3/t22-/m1/s1

InChI Key

ZKQFSSGFXLHRKD-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD06607680

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.354

Distribution Coefficient, logD

4.354

Water Solubility, LogSw

-4.57

Polar Surface Area

60.748

Acid Dissociation Constant (pKa)

18.86

Base Dissociation Constant (pKb)

2.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

C499-1025 in Drug Discovery

Included in Screening Libraries

Human Transcription Factors Annotated Library (5098 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C499-1025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C499-1025?
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What is the minimum amount of C499-1025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C499-1025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C499-1025
  • 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 C499-1025 available by request