M051-0003 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-1-{2-methylthieno[3,2-c]pyridin-4-yl}piperidine-4-carboxamide

M051-0003 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-1-{2-methylthieno[3,2-c]pyridin-4-yl}piperidine-4-carboxamide
M051-0003 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-1-{2-methylthieno[3,2-c]pyridin-4-yl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M051-0003
N-[2-chloro-5-(trifluoromethyl)phenyl]-1-{2-methylthieno[3,2-c]pyridin-4-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

M051-0003

Molecular Formula

C21H19ClF3N3OS (C21 H19 ClF3 N3 OS)

Compound Name

N-[2-chloro-5-(trifluoromethyl)phenyl]-1-{2-methylthieno[3,2-c]pyridin-4-yl}piperidine-4-carboxamide

IUPAC name

N-[2-chloro-5-(trifluoromethyl)phenyl]-1-{2-methylthieno[32-c]pyridin-4-yl}piperidine-4-carboxamide

SMILES

Cc1cc(c(N(CC2)CCC2C(Nc(cc(C(F)(F)F)cc2)c2Cl)=O)ncc2)c2s1

InChI

InChI=1S/C21H19ClF3N3OS/c1-12-10-15-18(30-12)4-7-26-19(15)28-8-5-13(6-9-28)20(29)27-17-11-14(21(23,24)25)2-3-16(17)22/h2-4,7,10-11,13H,5-6,8-9H2,1H3,(H,27,29)

InChI Key

VLSAWDKDMSPNJC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15139774

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.92

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.879

Distribution Coefficient, logD

5.409

Water Solubility, LogSw

-6.19

Polar Surface Area

35.812

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

7.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

M051-0003 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with M051-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M051-0003?
Check Price and Availability of M051-0003, 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 M051-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M051-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M051-0003
  • 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 M051-0003 available by request