M779-0639 Screening compound: N-(cyclohexylmethyl)-1-{6-[(2,5-dimethylphenyl)sulfanyl]pyrimidin-4-yl}piperidine-4-carboxamide

M779-0639 Screening compound: N-(cyclohexylmethyl)-1-{6-[(2,5-dimethylphenyl)sulfanyl]pyrimidin-4-yl}piperidine-4-carboxamide
M779-0639 Screening compound: N-(cyclohexylmethyl)-1-{6-[(2,5-dimethylphenyl)sulfanyl]pyrimidin-4-yl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M779-0639
N-(cyclohexylmethyl)-1-{6-[(2,5-dimethylphenyl)sulfanyl]pyrimidin-4-yl}piperidine-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

M779-0639

Molecular Formula

C25H34N4OS (C25 H34 N4 OS)

Compound Name

N-(cyclohexylmethyl)-1-{6-[(2,5-dimethylphenyl)sulfanyl]pyrimidin-4-yl}piperidine-4-carboxamide

IUPAC name

N-(cyclohexylmethyl)-1-{6-[(25-dimethylphenyl)sulfanyl]pyrimidin-4-yl}piperidine-4-carboxamide

SMILES

Cc1cc(Sc2ncnc(N(CC3)CCC3C(NCC3CCCCC3)=O)c2)c(C)cc1

InChI

InChI=1S/C25H34N4OS/c1-18-8-9-19(2)22(14-18)31-24-15-23(27-17-28-24)29-12-10-21(11-13-29)25(30)26-16-20-6-4-3-5-7-20/h8-9,14-15,17,20-21H,3-7,10-13,16H2,1-2H3,(H,26,30)

InChI Key

AVYHXSMVAHUXJE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27553865

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.64

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.420

Distribution Coefficient, logD

6.420

Water Solubility, LogSw

-5.43

Polar Surface Area

46.659

Acid Dissociation Constant (pKa)

14.15

Base Dissociation Constant (pKb)

4.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.00

M779-0639 in Drug Discovery

Included in Screening Libraries

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

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Akt-Targeted Library (14764 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Kinases
  • Phosphatases

References: we are preparing a list of scientific research reports with M779-0639 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M779-0639?
Check Price and Availability of M779-0639, 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 M779-0639 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M779-0639
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M779-0639
  • 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 M779-0639 available by request