8017-1483 Screening compound: 2-amino-5-oxo-4-[2-(trifluoromethyl)phenyl]-5H-pyrido[3,2-e][1,3]thiazolo[3,2-a]pyrimidin-3-yl cyanide

8017-1483 Screening compound: 2-amino-5-oxo-4-[2-(trifluoromethyl)phenyl]-5H-pyrido[3,2-e][1,3]thiazolo[3,2-a]pyrimidin-3-yl cyanide
8017-1483 Screening compound: 2-amino-5-oxo-4-[2-(trifluoromethyl)phenyl]-5H-pyrido[3,2-e][1,3]thiazolo[3,2-a]pyrimidin-3-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-1483
2-amino-5-oxo-4-[2-(trifluoromethyl)phenyl]-5H-pyrido[3,2-e][1,3]thiazolo[3,2-a]pyrimidin-3-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

8017-1483

Molecular Formula

C17H8F3N5OS (C17 H8 F3 N5 OS)

Compound Name

2-amino-5-oxo-4-[2-(trifluoromethyl)phenyl]-5H-pyrido[3,2-e][1,3]thiazolo[3,2-a]pyrimidin-3-yl cyanide

IUPAC name

12-amino-8-oxo-10-[2-(trifluoromethyl)phenyl]-5-thia-2713-triazatricyclo[7.4.0.0^{26}]trideca-1(9)361012-pentaene-11-carbonitrile

SMILES

Nc(c(C#N)c1-c2c(C(F)(F)F)cccc2)nc(N(C=CS2)C2=N2)c1C2=O

InChI

InChI=1S/C17H8F3N5OS/c18-17(19,20)10-4-2-1-3-8(10)11-9(7-21)13(22)23-14-12(11)15(26)24-16-25(14)5-6-27-16/h1-6H,(H2,22,23)

InChI Key

GJDDITFTZQBNQB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06014464

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.182

Distribution Coefficient, logD

2.182

Water Solubility, LogSw

-2.69

Polar Surface Area

72.571

Acid Dissociation Constant (pKa)

17.40

Base Dissociation Constant (pKb)

2.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.88

8017-1483 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8017-1483 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-1483?
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What is the minimum amount of 8017-1483 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-1483
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-1483
  • 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 8017-1483 available by request