8019-5332 Screening compound: 8-amino-6-(2-chlorophenyl)-2-(methylamino)-5-oxo-4,6-dihydro-5H-pyrano[2,3-d][1,3]thiazolo[4,5-b]pyridin-7-yl cyanide

8019-5332 Screening compound: 8-amino-6-(2-chlorophenyl)-2-(methylamino)-5-oxo-4,6-dihydro-5H-pyrano[2,3-d][1,3]thiazolo[4,5-b]pyridin-7-yl cyanide
8019-5332 Screening compound: 8-amino-6-(2-chlorophenyl)-2-(methylamino)-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 8019-5332
8-amino-6-(2-chlorophenyl)-2-(methylamino)-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

8019-5332

Molecular Formula

C17H12ClN5O2S (C17 H12 ClN5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CNc1nc(NC(C(C2c(cccc3)c3Cl)=C3OC(N)=C2C#N)=O)c3s1

InChI

InChI=1S/C17H12ClN5O2S/c1-21-17-23-15-13(26-17)12-11(16(24)22-15)10(8(6-19)14(20)25-12)7-4-2-3-5-9(7)18/h2-5,10H,20H2,1H3,(H2,21,22,23,24)/t10-/m1/s1

InChI Key

YIESDKNHGKBVIB-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD10038103

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.83

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.566

Distribution Coefficient, logD

2.566

Water Solubility, LogSw

-3.42

Polar Surface Area

92.934

Acid Dissociation Constant (pKa)

10.96

Base Dissociation Constant (pKb)

-0.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.80

8019-5332 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8019-5332 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-5332?
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What is the minimum amount of 8019-5332 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-5332
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-5332
  • 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 8019-5332 available by request