L871-0460 Screening compound: N-({1-methyl-5-[4-(2-methylpropyl)benzenesulfonyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl}methyl)-N-phenylbenzamide

L871-0460 Screening compound: N-({1-methyl-5-[4-(2-methylpropyl)benzenesulfonyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl}methyl)-N-phenylbenzamide
L871-0460 Screening compound: N-({1-methyl-5-[4-(2-methylpropyl)benzenesulfonyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl}methyl)-N-phenylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L871-0460
N-({1-methyl-5-[4-(2-methylpropyl)benzenesulfonyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl}methyl)-N-phenylbenzamide

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

L871-0460

Molecular Formula

C31H34N4O3S (C31 H34 N4 O3 S)

Compound Name

N-({1-methyl-5-[4-(2-methylpropyl)benzenesulfonyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl}methyl)-N-phenylbenzamide

IUPAC name

N-({1-methyl-5-[4-(2-methylpropyl)benzenesulfonyl]-1H4H5H6H7H-pyrazolo[43-c]pyridin-3-yl}methyl)-N-phenylbenzamide

SMILES

CC(C)Cc(cc1)ccc1S(N(CC1)Cc2c1n(C)nc2CN(C(c1ccccc1)=O)c1ccccc1)(=O)=O

InChI

InChI=1S/C31H34N4O3S/c1-23(2)20-24-14-16-27(17-15-24)39(37,38)34-19-18-30-28(21-34)29(32-33(30)3)22-35(26-12-8-5-9-13-26)31(36)25-10-6-4-7-11-25/h4-17,23H,18-22H2,1-3H3

InChI Key

CKQPICXXQSKPMG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27483284

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

542.7

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.391

Distribution Coefficient, logD

5.391

Water Solubility, LogSw

-5.33

Polar Surface Area

62.475

Acid Dissociation Constant (pKa)

22.23

Base Dissociation Constant (pKb)

0.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.00

L871-0460 in Drug Discovery

Included in Screening Libraries

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

Cysteine Proteases Inhibitors Library (7839 compounds)

Hsp90-Targeted Library (11355 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetics of Beta-Turn Motifs Library (2153 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Targets:
  • Proteases
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with L871-0460 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L871-0460?
Check Price and Availability of L871-0460, 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 L871-0460 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L871-0460
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L871-0460
  • 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 L871-0460 available by request