L871-1041 Screening compound: N-({1-METHYL-5-[(3-METHYLTHIOPHEN-2-YL)METHYL]-1H,4H,5H,6H,7H-PYRAZOLO[4,3-C]PYRIDIN-3-YL}METHYL)-N-PHENYLACETAMIDE

L871-1041 Screening compound: N-({1-METHYL-5-[(3-METHYLTHIOPHEN-2-YL)METHYL]-1H,4H,5H,6H,7H-PYRAZOLO[4,3-C]PYRIDIN-3-YL}METHYL)-N-PHENYLACETAMIDE
L871-1041 Screening compound: N-({1-METHYL-5-[(3-METHYLTHIOPHEN-2-YL)METHYL]-1H,4H,5H,6H,7H-PYRAZOLO[4,3-C]PYRIDIN-3-YL}METHYL)-N-PHENYLACETAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound L871-1041
N-({1-METHYL-5-[(3-METHYLTHIOPHEN-2-YL)METHYL]-1H,4H,5H,6H,7H-PYRAZOLO[4,3-C]PYRIDIN-3-YL}METHYL)-N-PHENYLACETAMIDE

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

L871-1041

Molecular Formula

C22H26N4OS (C22 H26 N4 OS)

Compound Name

N-({1-METHYL-5-[(3-METHYLTHIOPHEN-2-YL)METHYL]-1H,4H,5H,6H,7H-PYRAZOLO[4,3-C]PYRIDIN-3-YL}METHYL)-N-PHENYLACETAMIDE

IUPAC name

n/a

SMILES

CC(N(Cc1nn(C)c2c1CN(Cc1c(C)ccs1)CC2)c1ccccc1)=O

InChI

InChI=1S/C22H26N4OS/c1-16-10-12-28-22(16)15-25-11-9-21-19(13-25)20(23-24(21)3)14-26(17(2)27)18-7-5-4-6-8-18/h4-8,10,12H,9,11,13-15H2,1-3H3

InChI Key

VKLBVEMTDYTIMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29008738

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.840

Distribution Coefficient, logD

-1.780

Water Solubility, LogSw

-3.15

Polar Surface Area

36.255

Acid Dissociation Constant (pKa)

22.47

Base Dissociation Constant (pKb)

12.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

L871-1041 in Drug Discovery

Included in Screening Libraries

Bromodomain Modulators Library (5801 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with L871-1041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L871-1041?
Check Price and Availability of L871-1041, 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 L871-1041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L871-1041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L871-1041
  • 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 L871-1041 available by request