8019-5323 Screening compound: 8-amino-2-(ethylamino)-6-(4-methoxyphenyl)-5-oxo-4,6-dihydro-5H-pyrano[2,3-d][1,3]thiazolo[4,5-b]pyridin-7-yl cyanide

8019-5323 Screening compound: 8-amino-2-(ethylamino)-6-(4-methoxyphenyl)-5-oxo-4,6-dihydro-5H-pyrano[2,3-d][1,3]thiazolo[4,5-b]pyridin-7-yl cyanide
8019-5323 Screening compound: 8-amino-2-(ethylamino)-6-(4-methoxyphenyl)-5-oxo-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 8019-5323
8-amino-2-(ethylamino)-6-(4-methoxyphenyl)-5-oxo-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

8019-5323

Molecular Formula

C19H17N5O3S (C19 H17 N5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCNc1nc(NC(C(C2c(cc3)ccc3OC)=C3OC(N)=C2C#N)=O)c3s1

InChI

InChI=1S/C19H17N5O3S/c1-3-22-19-24-17-15(28-19)14-13(18(25)23-17)12(11(8-20)16(21)27-14)9-4-6-10(26-2)7-5-9/h4-7,12H,3,21H2,1-2H3,(H2,22,23,24,25)/t12-/m0/s1

InChI Key

HWXYWALLTRGMGC-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD10038100

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.278

Distribution Coefficient, logD

2.278

Water Solubility, LogSw

-2.88

Polar Surface Area

99.953

Acid Dissociation Constant (pKa)

10.79

Base Dissociation Constant (pKb)

-2.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.10

8019-5323 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8019-5323 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-5323?
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What is the minimum amount of 8019-5323 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-5323
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-5323
  • 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 8019-5323 available by request