L865-0017 Screening compound: N-(4-bromo-2-fluorophenyl)-1-{7-oxo-6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-2-yl}piperidine-4-carboxamide

L865-0017 Screening compound: N-(4-bromo-2-fluorophenyl)-1-{7-oxo-6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-2-yl}piperidine-4-carboxamide
L865-0017 Screening compound: N-(4-bromo-2-fluorophenyl)-1-{7-oxo-6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-2-yl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L865-0017
N-(4-bromo-2-fluorophenyl)-1-{7-oxo-6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-2-yl}piperidine-4-carboxamide

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

L865-0017

Molecular Formula

C17H15BrFN5O2S (C17 H15 BrFN5 O2 S)

Compound Name

N-(4-bromo-2-fluorophenyl)-1-{7-oxo-6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-2-yl}piperidine-4-carboxamide

IUPAC name

N-(4-bromo-2-fluorophenyl)-1-{7-oxo-6H7H-[13]thiazolo[45-d]pyrimidin-2-yl}piperidine-4-carboxamide

SMILES

O=C(C(CC1)CCN1c1nc(N=CNC2=O)c2s1)Nc(ccc(Br)c1)c1F

InChI

InChI=1S/C17H15BrFN5O2S/c18-10-1-2-12(11(19)7-10)22-15(25)9-3-5-24(6-4-9)17-23-14-13(27-17)16(26)21-8-20-14/h1-2,7-9H,3-6H2,(H,22,25)(H,20,21,26)

InChI Key

WXBCLIWHYPWXQS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27482419

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.773

Distribution Coefficient, logD

2.731

Water Solubility, LogSw

-3.32

Polar Surface Area

72.177

Acid Dissociation Constant (pKa)

8.39

Base Dissociation Constant (pKb)

0.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

L865-0017 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with L865-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L865-0017?
Check Price and Availability of L865-0017, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of L865-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L865-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L865-0017
  • 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 L865-0017 available by request