M520-0035 Screening compound: ethyl 3-{2-[6-(pyrrolidin-1-yl)pyridin-3-yl]-1,3-thiazole-4-amido}benzoate

M520-0035 Screening compound: ethyl 3-{2-[6-(pyrrolidin-1-yl)pyridin-3-yl]-1,3-thiazole-4-amido}benzoate
M520-0035 Screening compound: ethyl 3-{2-[6-(pyrrolidin-1-yl)pyridin-3-yl]-1,3-thiazole-4-amido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound M520-0035
ethyl 3-{2-[6-(pyrrolidin-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

M520-0035

Molecular Formula

C22H22N4O3S (C22 H22 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c1cccc(NC(c2csc(-c(cc3)cnc3N3CCCC3)n2)=O)c1)=O

InChI

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

InChI Key

CPYXUEVWXLUIRQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27546249

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

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.325

Distribution Coefficient, logD

5.300

Water Solubility, LogSw

-5.15

Polar Surface Area

66.237

Acid Dissociation Constant (pKa)

11.97

Base Dissociation Constant (pKb)

6.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

M520-0035 in Drug Discovery

Included in Screening Libraries

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

SH2 Library (10483 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 M520-0035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M520-0035?
Check Price and Availability of M520-0035, 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 M520-0035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M520-0035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M520-0035
  • 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 M520-0035 available by request