M779-1276 Screening compound: N-ethyl-1-{6-[({[3-(methylsulfanyl)phenyl]carbamoyl}methyl)sulfanyl]pyrimidin-4-yl}piperidine-4-carboxamide

M779-1276 Screening compound: N-ethyl-1-{6-[({[3-(methylsulfanyl)phenyl]carbamoyl}methyl)sulfanyl]pyrimidin-4-yl}piperidine-4-carboxamide
M779-1276 Screening compound: N-ethyl-1-{6-[({[3-(methylsulfanyl)phenyl]carbamoyl}methyl)sulfanyl]pyrimidin-4-yl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M779-1276
N-ethyl-1-{6-[({[3-(methylsulfanyl)phenyl]carbamoyl}methyl)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

M779-1276

Molecular Formula

C21H27N5O2S2 (C21 H27 N5 O2 S2)

Compound Name

N-ethyl-1-{6-[({[3-(methylsulfanyl)phenyl]carbamoyl}methyl)sulfanyl]pyrimidin-4-yl}piperidine-4-carboxamide

IUPAC name

N-ethyl-1-{6-[({[3-(methylsulfanyl)phenyl]carbamoyl}methyl)sulfanyl]pyrimidin-4-yl}piperidine-4-carboxamide

SMILES

CCNC(C(CC1)CCN1c1cc(SCC(Nc2cc(SC)ccc2)=O)ncn1)=O

InChI

InChI=1S/C21H27N5O2S2/c1-3-22-21(28)15-7-9-26(10-8-15)18-12-20(24-14-23-18)30-13-19(27)25-16-5-4-6-17(11-16)29-2/h4-6,11-12,14-15H,3,7-10,13H2,1-2H3,(H,22,28)(H,25,27)

InChI Key

VWJSYXBDDOKKTQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22593926

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.303

Distribution Coefficient, logD

3.303

Water Solubility, LogSw

-3.48

Polar Surface Area

69.514

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

3.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

M779-1276 in Drug Discovery

Included in Screening Libraries

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

Macl-GPIb alpha Interaction Library (22969 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with M779-1276 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M779-1276?
Check Price and Availability of M779-1276, 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 M779-1276 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M779-1276
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M779-1276
  • 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 M779-1276 available by request