M056-1000 Screening compound: N~1~-(3,4-dimethylbenzyl)-2-[4-(ethylsulfanyl)-1H-pyrrolo[3,2-c]pyridin-1-yl]acetamide

M056-1000 Screening compound: N~1~-(3,4-dimethylbenzyl)-2-[4-(ethylsulfanyl)-1H-pyrrolo[3,2-c]pyridin-1-yl]acetamide
M056-1000 Screening compound: N~1~-(3,4-dimethylbenzyl)-2-[4-(ethylsulfanyl)-1H-pyrrolo[3,2-c]pyridin-1-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M056-1000
N~1~-(3,4-dimethylbenzyl)-2-[4-(ethylsulfanyl)-1H-pyrrolo[3,2-c]pyridin-1-yl]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

M056-1000

Molecular Formula

C20H23N3OS (C20 H23 N3 OS)

Compound Name

N~1~-(3,4-dimethylbenzyl)-2-[4-(ethylsulfanyl)-1H-pyrrolo[3,2-c]pyridin-1-yl]acetamide

IUPAC name

N-[(34-dimethylphenyl)methyl]-2-[4-(ethylsulfanyl)-1H-pyrrolo[32-c]pyridin-1-yl]acetamide

SMILES

CCSc1nccc2c1ccn2CC(NCc1cc(C)c(C)cc1)=O

InChI

InChI=1S/C20H23N3OS/c1-4-25-20-17-8-10-23(18(17)7-9-21-20)13-19(24)22-12-16-6-5-14(2)15(3)11-16/h5-11H,4,12-13H2,1-3H3,(H,22,24)

InChI Key

XMZZTVNCDIROLW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27494518

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.107

Distribution Coefficient, logD

4.080

Water Solubility, LogSw

-4.11

Polar Surface Area

35.728

Acid Dissociation Constant (pKa)

12.77

Base Dissociation Constant (pKb)

6.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

M056-1000 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M056-1000 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M056-1000?
Check Price and Availability of M056-1000, 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 M056-1000 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M056-1000
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M056-1000
  • 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 M056-1000 available by request