8019-5333 Screening compound: methyl 4-[8-amino-7-cyano-2-(methylamino)-5-oxo-4,6-dihydro-5H-pyrano[2,3-d][1,3]thiazolo[4,5-b]pyridin-6-yl]benzoate

8019-5333 Screening compound: methyl 4-[8-amino-7-cyano-2-(methylamino)-5-oxo-4,6-dihydro-5H-pyrano[2,3-d][1,3]thiazolo[4,5-b]pyridin-6-yl]benzoate
8019-5333 Screening compound: methyl 4-[8-amino-7-cyano-2-(methylamino)-5-oxo-4,6-dihydro-5H-pyrano[2,3-d][1,3]thiazolo[4,5-b]pyridin-6-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-5333
methyl 4-[8-amino-7-cyano-2-(methylamino)-5-oxo-4,6-dihydro-5H-pyrano[2,3-d][1,3]thiazolo[4,5-b]pyridin-6-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

8019-5333

Molecular Formula

C19H15N5O4S (C19 H15 N5 O4 S)

Compound Name

methyl 4-[8-amino-7-cyano-2-(methylamino)-5-oxo-4,6-dihydro-5H-pyrano[2,3-d][1,3]thiazolo[4,5-b]pyridin-6-yl]benzoate

IUPAC name

methyl 4-[12-amino-11-cyano-4-(methylamino)-8-oxo-13-oxa-3-thia-57-diazatricyclo[7.4.0.0^{26}]trideca-1(9)2(6)411-tetraen-10-yl]benzoate

SMILES

CNc1nc(NC(C(C2c(cc3)ccc3C(OC)=O)=C3OC(N)=C2C#N)=O)c3s1

InChI

InChI=1S/C19H15N5O4S/c1-22-19-24-16-14(29-19)13-12(17(25)23-16)11(10(7-20)15(21)28-13)8-3-5-9(6-4-8)18(26)27-2/h3-6,11H,21H2,1-2H3,(H2,22,23,24,25)/t11-/m0/s1

InChI Key

NSHWSSVDSSCLHM-NSHDSACASA-N

MDL Number (MFCD)

MFCD10038104

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.846

Distribution Coefficient, logD

1.845

Water Solubility, LogSw

-2.33

Polar Surface Area

114.108

Acid Dissociation Constant (pKa)

10.79

Base Dissociation Constant (pKb)

-2.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.80

8019-5333 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8019-5333 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-5333?
Check Price and Availability of 8019-5333, 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 8019-5333 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-5333
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-5333
  • 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 8019-5333 available by request