M520-0748 Screening compound: methyl 3-{2-[6-(thiomorpholin-4-yl)pyridin-3-yl]-1,3-thiazole-4-amido}benzoate

M520-0748 Screening compound: methyl 3-{2-[6-(thiomorpholin-4-yl)pyridin-3-yl]-1,3-thiazole-4-amido}benzoate
M520-0748 Screening compound: methyl 3-{2-[6-(thiomorpholin-4-yl)pyridin-3-yl]-1,3-thiazole-4-amido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound M520-0748
methyl 3-{2-[6-(thiomorpholin-4-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

M520-0748

Molecular Formula

C21H20N4O3S2 (C21 H20 N4 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

COC(c1cccc(NC(c2csc(-c(cc3)cnc3N3CCSCC3)n2)=O)c1)=O

InChI

InChI=1S/C21H20N4O3S2/c1-28-21(27)14-3-2-4-16(11-14)23-19(26)17-13-30-20(24-17)15-5-6-18(22-12-15)25-7-9-29-10-8-25/h2-6,11-13H,7-10H2,1H3,(H,23,26)

InChI Key

VWKVXKPDFNGWTE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27546502

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.674

Distribution Coefficient, logD

4.403

Water Solubility, LogSw

-4.35

Polar Surface Area

66.291

Acid Dissociation Constant (pKa)

11.97

Base Dissociation Constant (pKb)

7.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

M520-0748 in Drug Discovery

Included in Screening Libraries

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

Regenerative Medicine Focused Library (23016 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with M520-0748 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M520-0748?
Check Price and Availability of M520-0748, 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 M520-0748 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M520-0748
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M520-0748
  • 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 M520-0748 available by request