L871-0082 Screening compound: N-{[5-(2-acetamido-5-methylbenzenesulfonyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]methyl}-N-phenylacetamide

L871-0082 Screening compound: N-{[5-(2-acetamido-5-methylbenzenesulfonyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]methyl}-N-phenylacetamide
L871-0082 Screening compound: N-{[5-(2-acetamido-5-methylbenzenesulfonyl)-1-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 L871-0082
N-{[5-(2-acetamido-5-methylbenzenesulfonyl)-1-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

L871-0082

Molecular Formula

C25H29N5O4S (C25 H29 N5 O4 S)

Compound Name

N-{[5-(2-acetamido-5-methylbenzenesulfonyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]methyl}-N-phenylacetamide

IUPAC name

N-{[5-(2-acetamido-5-methylbenzenesulfonyl)-1-methyl-1H4H5H6H7H-pyrazolo[43-c]pyridin-3-yl]methyl}-N-phenylacetamide

SMILES

CC(Nc(ccc(C)c1)c1S(N(CC1)Cc2c1n(C)nc2CN(C(C)=O)c1ccccc1)(=O)=O)=O

InChI

InChI=1S/C25H29N5O4S/c1-17-10-11-22(26-18(2)31)25(14-17)35(33,34)29-13-12-24-21(15-29)23(27-28(24)4)16-30(19(3)32)20-8-6-5-7-9-20/h5-11,14H,12-13,15-16H2,1-4H3,(H,26,31)

InChI Key

FVTPJAMAOPTFNJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27483122

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.6

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.492

Distribution Coefficient, logD

1.492

Water Solubility, LogSw

-2.48

Polar Surface Area

85.779

Acid Dissociation Constant (pKa)

10.98

Base Dissociation Constant (pKb)

0.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

L871-0082 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 L871-0082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L871-0082?
Check Price and Availability of L871-0082, 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 L871-0082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L871-0082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L871-0082
  • 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 L871-0082 available by request