M779-1256 Screening compound: 1-[6-({[(4-butylphenyl)carbamoyl]methyl}sulfanyl)pyrimidin-4-yl]-N-ethylpiperidine-4-carboxamide

M779-1256 Screening compound: 1-[6-({[(4-butylphenyl)carbamoyl]methyl}sulfanyl)pyrimidin-4-yl]-N-ethylpiperidine-4-carboxamide
M779-1256 Screening compound: 1-[6-({[(4-butylphenyl)carbamoyl]methyl}sulfanyl)pyrimidin-4-yl]-N-ethylpiperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M779-1256
1-[6-({[(4-butylphenyl)carbamoyl]methyl}sulfanyl)pyrimidin-4-yl]-N-ethylpiperidine-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

M779-1256

Molecular Formula

C24H33N5O2S (C24 H33 N5 O2 S)

Compound Name

1-[6-({[(4-butylphenyl)carbamoyl]methyl}sulfanyl)pyrimidin-4-yl]-N-ethylpiperidine-4-carboxamide

IUPAC name

1-[6-({[(4-butylphenyl)carbamoyl]methyl}sulfanyl)pyrimidin-4-yl]-N-ethylpiperidine-4-carboxamide

SMILES

CCCCc(cc1)ccc1NC(CSc1ncnc(N(CC2)CCC2C(NCC)=O)c1)=O

InChI

InChI=1S/C24H33N5O2S/c1-3-5-6-18-7-9-20(10-8-18)28-22(30)16-32-23-15-21(26-17-27-23)29-13-11-19(12-14-29)24(31)25-4-2/h7-10,15,17,19H,3-6,11-14,16H2,1-2H3,(H,25,31)(H,28,30)

InChI Key

HWMUNGRGXWTNRY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22593922

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.811

Distribution Coefficient, logD

4.811

Water Solubility, LogSw

-4.51

Polar Surface Area

69.514

Acid Dissociation Constant (pKa)

12.62

Base Dissociation Constant (pKb)

3.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

M779-1256 in Drug Discovery

Included in Screening Libraries

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 M779-1256 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M779-1256?
Check Price and Availability of M779-1256, 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 M779-1256 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M779-1256
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M779-1256
  • 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 M779-1256 available by request