8019-3361 Screening compound: methyl 4-{2-amino-3-cyano-5-oxo-4H,5H-thiochromeno[4,3-b]pyran-4-yl}benzoate

8019-3361 Screening compound: methyl 4-{2-amino-3-cyano-5-oxo-4H,5H-thiochromeno[4,3-b]pyran-4-yl}benzoate
8019-3361 Screening compound: methyl 4-{2-amino-3-cyano-5-oxo-4H,5H-thiochromeno[4,3-b]pyran-4-yl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-3361
methyl 4-{2-amino-3-cyano-5-oxo-4H,5H-thiochromeno[4,3-b]pyran-4-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

8019-3361

Molecular Formula

C21H14N2O4S (C21 H14 N2 O4 S)

Compound Name

methyl 4-{2-amino-3-cyano-5-oxo-4H,5H-thiochromeno[4,3-b]pyran-4-yl}benzoate

IUPAC name

methyl 4-{2-amino-3-cyano-5-oxo-4H5H-thiochromeno[43-b]pyran-4-yl}benzoate

SMILES

COC(c1ccc(C2C(C#N)=C(N)OC(c(cccc3)c3S3)=C2C3=O)cc1)=O

InChI

InChI=1S/C21H14N2O4S/c1-26-20(24)12-8-6-11(7-9-12)16-14(10-22)19(23)27-18-13-4-2-3-5-15(13)28-21(25)17(16)18/h2-9,16H,23H2,1H3/t16-/m1/s1

InChI Key

DSLIQJVEVWKCHK-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD08728334

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.227

Distribution Coefficient, logD

3.227

Water Solubility, LogSw

-3.72

Polar Surface Area

80.945

Acid Dissociation Constant (pKa)

15.30

Base Dissociation Constant (pKb)

0.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.50

References: we are preparing a list of scientific research reports with 8019-3361 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-3361?
Check Price and Availability of 8019-3361, 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 8019-3361 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-3361
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-3361
  • 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 8019-3361 available by request