C499-0915 Screening compound: 8-(5-bromo-2-methoxyphenyl)-3-methyl-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazin-9-yl cyanide

C499-0915 Screening compound: 8-(5-bromo-2-methoxyphenyl)-3-methyl-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazin-9-yl cyanide
C499-0915 Screening compound: 8-(5-bromo-2-methoxyphenyl)-3-methyl-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazin-9-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound C499-0915
8-(5-bromo-2-methoxyphenyl)-3-methyl-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazin-9-yl cyanide

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

C499-0915

Molecular Formula

C16H16BrN3O2S (C16 H16 BrN3 O2 S)

Compound Name

8-(5-bromo-2-methoxyphenyl)-3-methyl-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazin-9-yl cyanide

IUPAC name

8-(5-bromo-2-methoxyphenyl)-3-methyl-6-oxo-2H3H4H6H7H8H-pyrido[21-b][135]thiadiazine-9-carbonitrile

SMILES

CN(CN1C(CC2c(cc(cc3)Br)c3OC)=O)CSC1=C2C#N

InChI

InChI=1S/C16H16BrN3O2S/c1-19-8-20-15(21)6-11(13(7-18)16(20)23-9-19)12-5-10(17)3-4-14(12)22-2/h3-5,11H,6,8-9H2,1-2H3/t11-/m0/s1

InChI Key

ZUYQCUKTYZEMIJ-NSHDSACASA-N

MDL Number (MFCD)

MFCD10087993

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.29

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.162

Distribution Coefficient, logD

3.162

Water Solubility, LogSw

-3.25

Polar Surface Area

45.621

Acid Dissociation Constant (pKa)

18.86

Base Dissociation Constant (pKb)

4.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

C499-0915 in Drug Discovery

Included in Screening Libraries

Human Proteases Annotated Library (2868 compounds)

Human Transcription Factors Annotated Library (5098 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 C499-0915 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C499-0915 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C499-0915
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C499-0915
  • 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 C499-0915 available by request