C499-0832 Screening compound: 3-(4-methoxyphenyl)-6-oxo-8-(thiophen-2-yl)-2H,3H,4H,6H,7H,8H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile

C499-0832 Screening compound: 3-(4-methoxyphenyl)-6-oxo-8-(thiophen-2-yl)-2H,3H,4H,6H,7H,8H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
C499-0832 Screening compound: 3-(4-methoxyphenyl)-6-oxo-8-(thiophen-2-yl)-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 C499-0832
3-(4-methoxyphenyl)-6-oxo-8-(thiophen-2-yl)-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

C499-0832

Molecular Formula

C19H17N3O2S2 (C19 H17 N3 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1N(CN1C(CC2c3cccs3)=O)CSC1=C2C#N

InChI

InChI=1S/C19H17N3O2S2/c1-24-14-6-4-13(5-7-14)21-11-22-18(23)9-15(17-3-2-8-25-17)16(10-20)19(22)26-12-21/h2-8,15H,9,11-12H2,1H3/t15-/m0/s1

InChI Key

XFMAVVIPHIDUBH-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD06609141

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.783

Distribution Coefficient, logD

3.783

Water Solubility, LogSw

-4.00

Polar Surface Area

46.337

Acid Dissociation Constant (pKa)

19.02

Base Dissociation Constant (pKb)

4.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

C499-0832 in Drug Discovery

Included in Screening Libraries

Human Kinases Annotated Library (2415 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 C499-0832 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C499-0832?
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What is the minimum amount of C499-0832 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C499-0832
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C499-0832
  • 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 C499-0832 available by request