C499-0223 Screening compound: 8-(2-chlorophenyl)-3-[(furan-2-yl)methyl]-6-oxo-2H,3H,4H,6H,7H,8H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile

C499-0223 Screening compound: 8-(2-chlorophenyl)-3-[(furan-2-yl)methyl]-6-oxo-2H,3H,4H,6H,7H,8H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
C499-0223 Screening compound: 8-(2-chlorophenyl)-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 C499-0223
8-(2-chlorophenyl)-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

C499-0223

Molecular Formula

C19H16ClN3O2S (C19 H16 ClN3 O2 S)

Compound Name

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

SMILES

N#CC(C(C1)c(cccc2)c2Cl)=C2SCN(Cc3ccco3)CN2C1=O

InChI

InChI=1S/C19H16ClN3O2S/c20-17-6-2-1-5-14(17)15-8-18(24)23-11-22(10-13-4-3-7-25-13)12-26-19(23)16(15)9-21/h1-7,15H,8,10-12H2/t15-/m0/s1

InChI Key

SYQAKROVWOSDNS-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD06592388

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.87

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.763

Distribution Coefficient, logD

3.763

Water Solubility, LogSw

-4.04

Polar Surface Area

45.804

Acid Dissociation Constant (pKa)

18.86

Base Dissociation Constant (pKb)

2.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

C499-0223 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C499-0223 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C499-0223?
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What is the minimum amount of C499-0223 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C499-0223
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C499-0223
  • 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 C499-0223 available by request