C499-0376 Screening compound: 3-benzyl-8-(3-nitrophenyl)-6-oxo-2H,3H,4H,6H,7H,8H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile

C499-0376 Screening compound: 3-benzyl-8-(3-nitrophenyl)-6-oxo-2H,3H,4H,6H,7H,8H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
C499-0376 Screening compound: 3-benzyl-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 C499-0376
3-benzyl-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

C499-0376

Molecular Formula

C21H18N4O3S (C21 H18 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

N#CC(C(C1)c2cc([N+]([O-])=O)ccc2)=C2SCN(Cc3ccccc3)CN2C1=O

InChI

InChI=1S/C21H18N4O3S/c22-11-19-18(16-7-4-8-17(9-16)25(27)28)10-20(26)24-13-23(14-29-21(19)24)12-15-5-2-1-3-6-15/h1-9,18H,10,12-14H2/t18-/m1/s1

InChI Key

LLZDFDCKTIHBRK-GOSISDBHSA-N

MDL Number (MFCD)

MFCD10087981

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.615

Distribution Coefficient, logD

3.615

Water Solubility, LogSw

-3.88

Polar Surface Area

71.436

Acid Dissociation Constant (pKa)

18.86

Base Dissociation Constant (pKb)

3.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with C499-0376 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C499-0376?
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What is the minimum amount of C499-0376 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C499-0376
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C499-0376
  • 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 C499-0376 available by request