M056-0400 Screening compound: 2-(4-{[(4-methylphenyl)methyl]sulfanyl}-1H-pyrrolo[3,2-c]pyridin-1-yl)-N-{[4-(4-methylpiperazin-1-yl)phenyl]methyl}acetamide

M056-0400 Screening compound: 2-(4-{[(4-methylphenyl)methyl]sulfanyl}-1H-pyrrolo[3,2-c]pyridin-1-yl)-N-{[4-(4-methylpiperazin-1-yl)phenyl]methyl}acetamide
M056-0400 Screening compound: 2-(4-{[(4-methylphenyl)methyl]sulfanyl}-1H-pyrrolo[3,2-c]pyridin-1-yl)-N-{[4-(4-methylpiperazin-1-yl)phenyl]methyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M056-0400
2-(4-{[(4-methylphenyl)methyl]sulfanyl}-1H-pyrrolo[3,2-c]pyridin-1-yl)-N-{[4-(4-methylpiperazin-1-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

M056-0400

Molecular Formula

C29H33N5OS (C29 H33 N5 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(CSc2nccc3c2ccn3CC(NCc(cc2)ccc2N2CCN(C)CC2)=O)cc1

InChI

InChI=1S/C29H33N5OS/c1-22-3-5-24(6-4-22)21-36-29-26-12-14-34(27(26)11-13-30-29)20-28(35)31-19-23-7-9-25(10-8-23)33-17-15-32(2)16-18-33/h3-14H,15-21H2,1-2H3,(H,31,35)

InChI Key

UFTGMCFYPPGHHW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27494474

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.68

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

3.970

Distribution Coefficient, logD

3.402

Water Solubility, LogSw

-3.82

Polar Surface Area

42.386

Acid Dissociation Constant (pKa)

13.64

Base Dissociation Constant (pKb)

7.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.00

M056-0400 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with M056-0400 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M056-0400?
Check Price and Availability of M056-0400, 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 M056-0400 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M056-0400
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M056-0400
  • 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 M056-0400 available by request