M056-0618 Screening compound: 2-[4-(benzylsulfanyl)-1H-pyrrolo[3,2-c]pyridin-1-yl]-N-{[4-(morpholin-4-yl)phenyl]methyl}acetamide

M056-0618 Screening compound: 2-[4-(benzylsulfanyl)-1H-pyrrolo[3,2-c]pyridin-1-yl]-N-{[4-(morpholin-4-yl)phenyl]methyl}acetamide
M056-0618 Screening compound: 2-[4-(benzylsulfanyl)-1H-pyrrolo[3,2-c]pyridin-1-yl]-N-{[4-(morpholin-4-yl)phenyl]methyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M056-0618
2-[4-(benzylsulfanyl)-1H-pyrrolo[3,2-c]pyridin-1-yl]-N-{[4-(morpholin-4-yl)phenyl]methyl}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

M056-0618

Molecular Formula

C27H28N4O2S (C27 H28 N4 O2 S)

Compound Name

2-[4-(benzylsulfanyl)-1H-pyrrolo[3,2-c]pyridin-1-yl]-N-{[4-(morpholin-4-yl)phenyl]methyl}acetamide

IUPAC name

2-[4-(benzylsulfanyl)-1H-pyrrolo[32-c]pyridin-1-yl]-N-{[4-(morpholin-4-yl)phenyl]methyl}acetamide

SMILES

O=C(Cn(cc1)c2c1c(SCc1ccccc1)ncc2)NCc(cc1)ccc1N1CCOCC1

InChI

InChI=1S/C27H28N4O2S/c32-26(29-18-21-6-8-23(9-7-21)30-14-16-33-17-15-30)19-31-13-11-24-25(31)10-12-28-27(24)34-20-22-4-2-1-3-5-22/h1-13H,14-20H2,(H,29,32)

InChI Key

ZHTJXVAOLGHNKY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15139999

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.61

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.570

Distribution Coefficient, logD

3.558

Water Solubility, LogSw

-3.55

Polar Surface Area

46.818

Acid Dissociation Constant (pKa)

13.64

Base Dissociation Constant (pKb)

5.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

M056-0618 in Drug Discovery

Included in Screening Libraries

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

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with M056-0618 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M056-0618?
Check Price and Availability of M056-0618, 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 M056-0618 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M056-0618
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M056-0618
  • 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 M056-0618 available by request