8019-5873 Screening compound: methyl 4-[8-amino-3,7-dicyano-2-(methylamino)-5-oxo-4,6-dihydro-5H-pyrano[2,3-d]thieno[3,2-b]pyridin-6-yl]benzoate

8019-5873 Screening compound: methyl 4-[8-amino-3,7-dicyano-2-(methylamino)-5-oxo-4,6-dihydro-5H-pyrano[2,3-d]thieno[3,2-b]pyridin-6-yl]benzoate
8019-5873 Screening compound: methyl 4-[8-amino-3,7-dicyano-2-(methylamino)-5-oxo-4,6-dihydro-5H-pyrano[2,3-d]thieno[3,2-b]pyridin-6-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-5873
methyl 4-[8-amino-3,7-dicyano-2-(methylamino)-5-oxo-4,6-dihydro-5H-pyrano[2,3-d]thieno[3,2-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

8019-5873

Molecular Formula

C21H15N5O4S (C21 H15 N5 O4 S)

Compound Name

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

IUPAC name

methyl 4-[12-amino-511-dicyano-4-(methylamino)-8-oxo-13-oxa-3-thia-7-azatricyclo[7.4.0.0^{26}]trideca-1(9)2(6)411-tetraen-10-yl]benzoate

SMILES

CNc(sc(C1=C2C(c(cc3)ccc3C(OC)=O)C(C#N)=C(N)O1)c1NC2=O)c1C#N

InChI

InChI=1S/C21H15N5O4S/c1-25-20-12(8-23)15-17(31-20)16-14(19(27)26-15)13(11(7-22)18(24)30-16)9-3-5-10(6-4-9)21(28)29-2/h3-6,13,25H,24H2,1-2H3,(H,26,27)/t13-/m0/s1

InChI Key

UKTBOJSRVIFHEA-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD10038400

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.186

Distribution Coefficient, logD

1.186

Water Solubility, LogSw

-2.11

Polar Surface Area

118.085

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

0.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

8019-5873 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 8019-5873 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-5873?
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What is the minimum amount of 8019-5873 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-5873
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-5873
  • 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 8019-5873 available by request