M779-0942 Screening compound: ethyl 4-[2-({6-[4-(cyclopropylcarbamoyl)piperidin-1-yl]pyrimidin-4-yl}sulfanyl)acetamido]benzoate

M779-0942 Screening compound: ethyl 4-[2-({6-[4-(cyclopropylcarbamoyl)piperidin-1-yl]pyrimidin-4-yl}sulfanyl)acetamido]benzoate
M779-0942 Screening compound: ethyl 4-[2-({6-[4-(cyclopropylcarbamoyl)piperidin-1-yl]pyrimidin-4-yl}sulfanyl)acetamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound M779-0942
ethyl 4-[2-({6-[4-(cyclopropylcarbamoyl)piperidin-1-yl]pyrimidin-4-yl}sulfanyl)acetamido]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

M779-0942

Molecular Formula

C24H29N5O4S (C24 H29 N5 O4 S)

Compound Name

ethyl 4-[2-({6-[4-(cyclopropylcarbamoyl)piperidin-1-yl]pyrimidin-4-yl}sulfanyl)acetamido]benzoate

IUPAC name

ethyl 4-[2-({6-[4-(cyclopropylcarbamoyl)piperidin-1-yl]pyrimidin-4-yl}sulfanyl)acetamido]benzoate

SMILES

CCOC(c(cc1)ccc1NC(CSc1ncnc(N(CC2)CCC2C(NC2CC2)=O)c1)=O)=O

InChI

InChI=1S/C24H29N5O4S/c1-2-33-24(32)17-3-5-18(6-4-17)27-21(30)14-34-22-13-20(25-15-26-22)29-11-9-16(10-12-29)23(31)28-19-7-8-19/h3-6,13,15-16,19H,2,7-12,14H2,1H3,(H,27,30)(H,28,31)

InChI Key

ZKXRBCJBJGCWTN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27553878

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.59

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.557

Distribution Coefficient, logD

3.556

Water Solubility, LogSw

-3.70

Polar Surface Area

90.426

Acid Dissociation Constant (pKa)

11.06

Base Dissociation Constant (pKb)

3.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.80

M779-0942 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with M779-0942 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M779-0942?
Check Price and Availability of M779-0942, 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 M779-0942 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M779-0942
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M779-0942
  • 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 M779-0942 available by request