C499-0621 Screening compound: ethyl 4-{9-cyano-6-oxo-8-[4-(propan-2-yl)phenyl]-2H,3H,4H,6H,7H,8H-pyrido[2,1-b][1,3,5]thiadiazin-3-yl}benzoate

C499-0621 Screening compound: ethyl 4-{9-cyano-6-oxo-8-[4-(propan-2-yl)phenyl]-2H,3H,4H,6H,7H,8H-pyrido[2,1-b][1,3,5]thiadiazin-3-yl}benzoate
C499-0621 Screening compound: ethyl 4-{9-cyano-6-oxo-8-[4-(propan-2-yl)phenyl]-2H,3H,4H,6H,7H,8H-pyrido[2,1-b][1,3,5]thiadiazin-3-yl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C499-0621
ethyl 4-{9-cyano-6-oxo-8-[4-(propan-2-yl)phenyl]-2H,3H,4H,6H,7H,8H-pyrido[2,1-b][1,3,5]thiadiazin-3-yl}benzoate

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

C499-0621

Molecular Formula

C26H27N3O3S (C26 H27 N3 O3 S)

Compound Name

ethyl 4-{9-cyano-6-oxo-8-[4-(propan-2-yl)phenyl]-2H,3H,4H,6H,7H,8H-pyrido[2,1-b][1,3,5]thiadiazin-3-yl}benzoate

IUPAC name

ethyl 4-{9-cyano-6-oxo-8-[4-(propan-2-yl)phenyl]-2H3H4H6H7H8H-pyrido[21-b][135]thiadiazin-3-yl}benzoate

SMILES

CCOC(c(cc1)ccc1N(CN1C(CC2c3ccc(C(C)C)cc3)=O)CSC1=C2C#N)=O

InChI

InChI=1S/C26H27N3O3S/c1-4-32-26(31)20-9-11-21(12-10-20)28-15-29-24(30)13-22(23(14-27)25(29)33-16-28)19-7-5-18(6-8-19)17(2)3/h5-12,17,22H,4,13,15-16H2,1-3H3/t22-/m1/s1

InChI Key

UESFBSFGIABFHC-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD14762417

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.043

Distribution Coefficient, logD

6.043

Water Solubility, LogSw

-5.51

Polar Surface Area

58.528

Acid Dissociation Constant (pKa)

18.86

Base Dissociation Constant (pKb)

-2.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.60

References: we are preparing a list of scientific research reports with C499-0621 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C499-0621?
Check Price and Availability of C499-0621, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C499-0621 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C499-0621
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C499-0621
  • 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 C499-0621 available by request