M179-5766 Screening compound: N-[4-(dimethylamino)phenyl]-2-{[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl}acetamide

M179-5766 Screening compound: N-[4-(dimethylamino)phenyl]-2-{[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl}acetamide
M179-5766 Screening compound: N-[4-(dimethylamino)phenyl]-2-{[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M179-5766
N-[4-(dimethylamino)phenyl]-2-{[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl}acetamide

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

M179-5766

Molecular Formula

C21H29N5OS (C21 H29 N5 OS)

Compound Name

N-[4-(dimethylamino)phenyl]-2-{[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl}acetamide

IUPAC name

N-[4-(dimethylamino)phenyl]-2-{[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl}acetamide

SMILES

CCC(CCCC1)N1c1cc(SCC(Nc(cc2)ccc2N(C)C)=O)ncn1

InChI

InChI=1S/C21H29N5OS/c1-4-17-7-5-6-12-26(17)19-13-21(23-15-22-19)28-14-20(27)24-16-8-10-18(11-9-16)25(2)3/h8-11,13,15,17H,4-7,12,14H2,1-3H3,(H,24,27)/t17-/m0/s1

InChI Key

ZCLLHXANCSOHRV-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27533504

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.373

Distribution Coefficient, logD

4.365

Water Solubility, LogSw

-4.13

Polar Surface Area

47.654

Acid Dissociation Constant (pKa)

12.57

Base Dissociation Constant (pKb)

9.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.60

M179-5766 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M179-5766 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M179-5766?
Check Price and Availability of M179-5766, 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 M179-5766 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M179-5766
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M179-5766
  • 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 M179-5766 available by request