C499-0534 Screening compound: 3-(4-bromophenyl)-8-(2-nitrophenyl)-6-oxo-2H,3H,4H,6H,7H,8H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile

C499-0534 Screening compound: 3-(4-bromophenyl)-8-(2-nitrophenyl)-6-oxo-2H,3H,4H,6H,7H,8H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
C499-0534 Screening compound: 3-(4-bromophenyl)-8-(2-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 C499-0534
3-(4-bromophenyl)-8-(2-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

C499-0534

Molecular Formula

C20H15BrN4O3S (C20 H15 BrN4 O3 S)

Compound Name

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

IUPAC name

3-(4-bromophenyl)-8-(2-nitrophenyl)-6-oxo-2H3H4H6H7H8H-pyrido[21-b][135]thiadiazine-9-carbonitrile

SMILES

N#CC(C(CC(N1C2)=O)c(cccc3)c3[N+]([O-])=O)=C1SCN2c(cc1)ccc1Br

InChI

InChI=1S/C20H15BrN4O3S/c21-13-5-7-14(8-6-13)23-11-24-19(26)9-16(17(10-22)20(24)29-12-23)15-3-1-2-4-18(15)25(27)28/h1-8,16H,9,11-12H2/t16-/m1/s1

InChI Key

MZTMRGPMFSDBTB-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD10087969

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.33

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.828

Distribution Coefficient, logD

4.828

Water Solubility, LogSw

-4.78

Polar Surface Area

70.855

Acid Dissociation Constant (pKa)

18.86

Base Dissociation Constant (pKb)

-1.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with C499-0534 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C499-0534?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C499-0534
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C499-0534
  • 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 C499-0534 available by request