8019-6716 Screening compound: 8-amino-2-(methylamino)-5-oxo-6-(3-pyridyl)-4,6-dihydro-5H-pyrano[2,3-d][1,3]thiazolo[4,5-b]pyridin-7-yl cyanide

8019-6716 Screening compound: 8-amino-2-(methylamino)-5-oxo-6-(3-pyridyl)-4,6-dihydro-5H-pyrano[2,3-d][1,3]thiazolo[4,5-b]pyridin-7-yl cyanide
8019-6716 Screening compound: 8-amino-2-(methylamino)-5-oxo-6-(3-pyridyl)-4,6-dihydro-5H-pyrano[2,3-d][1,3]thiazolo[4,5-b]pyridin-7-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-6716
8-amino-2-(methylamino)-5-oxo-6-(3-pyridyl)-4,6-dihydro-5H-pyrano[2,3-d][1,3]thiazolo[4,5-b]pyridin-7-yl cyanide

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

8019-6716

Molecular Formula

C16H12N6O2S (C16 H12 N6 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CNc1nc(NC(C(C2c3cnccc3)=C3OC(N)=C2C#N)=O)c3s1

InChI

InChI=1S/C16H12N6O2S/c1-19-16-22-14-12(25-16)11-10(15(23)21-14)9(7-3-2-4-20-6-7)8(5-17)13(18)24-11/h2-4,6,9H,18H2,1H3,(H2,19,21,22,23)/t9-/m0/s1

InChI Key

ZLPBOPCASMGJGA-VIFPVBQESA-N

MDL Number (MFCD)

MFCD10038903

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.675

Distribution Coefficient, logD

0.675

Water Solubility, LogSw

-1.55

Polar Surface Area

102.452

Acid Dissociation Constant (pKa)

10.91

Base Dissociation Constant (pKb)

0.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with 8019-6716 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-6716?
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What is the minimum amount of 8019-6716 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-6716
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-6716
  • 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 8019-6716 available by request