C499-0358 Screening compound: 3-[(furan-2-yl)methyl]-8-(3-nitrophenyl)-6-oxo-2H,3H,4H,6H,7H,8H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile

C499-0358 Screening compound: 3-[(furan-2-yl)methyl]-8-(3-nitrophenyl)-6-oxo-2H,3H,4H,6H,7H,8H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
C499-0358 Screening compound: 3-[(furan-2-yl)methyl]-8-(3-nitrophenyl)-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 C499-0358
3-[(furan-2-yl)methyl]-8-(3-nitrophenyl)-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

C499-0358

Molecular Formula

C19H16N4O4S (C19 H16 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

N#CC(C(C1)c2cc([N+]([O-])=O)ccc2)=C2SCN(Cc3ccco3)CN2C1=O

InChI

InChI=1S/C19H16N4O4S/c20-9-17-16(13-3-1-4-14(7-13)23(25)26)8-18(24)22-11-21(12-28-19(17)22)10-15-5-2-6-27-15/h1-7,16H,8,10-12H2/t16-/m1/s1

InChI Key

UTWLOYROXRYRSM-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD14762400

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.43

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.022

Distribution Coefficient, logD

3.022

Water Solubility, LogSw

-3.32

Polar Surface Area

79.185

Acid Dissociation Constant (pKa)

18.86

Base Dissociation Constant (pKb)

2.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

References: we are preparing a list of scientific research reports with C499-0358 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C499-0358
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C499-0358
  • 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 C499-0358 available by request