M520-0313 Screening compound: methyl 4-{2-[6-(piperidin-1-yl)pyridin-3-yl]-1,3-thiazole-4-amido}benzoate

M520-0313 Screening compound: methyl 4-{2-[6-(piperidin-1-yl)pyridin-3-yl]-1,3-thiazole-4-amido}benzoate
M520-0313 Screening compound: methyl 4-{2-[6-(piperidin-1-yl)pyridin-3-yl]-1,3-thiazole-4-amido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound M520-0313
methyl 4-{2-[6-(piperidin-1-yl)pyridin-3-yl]-1,3-thiazole-4-amido}benzoate

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

M520-0313

Molecular Formula

C22H22N4O3S (C22 H22 N4 O3 S)

Compound Name

methyl 4-{2-[6-(piperidin-1-yl)pyridin-3-yl]-1,3-thiazole-4-amido}benzoate

IUPAC name

methyl 4-{2-[6-(piperidin-1-yl)pyridin-3-yl]-13-thiazole-4-amido}benzoate

SMILES

COC(c(cc1)ccc1NC(c1csc(-c(cc2)cnc2N2CCCCC2)n1)=O)=O

InChI

InChI=1S/C22H22N4O3S/c1-29-22(28)15-5-8-17(9-6-15)24-20(27)18-14-30-21(25-18)16-7-10-19(23-13-16)26-11-3-2-4-12-26/h5-10,13-14H,2-4,11-12H2,1H3,(H,24,27)

InChI Key

ZSCSSWOMCCUQRM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27546385

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.069

Distribution Coefficient, logD

5.001

Water Solubility, LogSw

-4.44

Polar Surface Area

66.291

Acid Dissociation Constant (pKa)

10.85

Base Dissociation Constant (pKb)

6.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

M520-0313 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

SH2 Library (10483 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Endocrine
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with M520-0313 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M520-0313?
Check Price and Availability of M520-0313, 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 M520-0313 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M520-0313
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M520-0313
  • 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 M520-0313 available by request