L854-0722 Screening compound: 1-{3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}-3-methyl-1-butanone

L854-0722 Screening compound: 1-{3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}-3-methyl-1-butanone
L854-0722 Screening compound: 1-{3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}-3-methyl-1-butanone alternative view

Chemical Structure Depiction of ChemDiv screening compound L854-0722
1-{3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}-3-methyl-1-butanone

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

L854-0722

Molecular Formula

C20H22ClN5O2 (C20 H22 ClN5 O2)

Compound Name

1-{3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}-3-methyl-1-butanone

IUPAC name

1-{3-[5-(2-chlorophenyl)-134-oxadiazol-2-yl]-1-methyl-1H4H5H6H7H-pyrazolo[43-c]pyridin-5-yl}-3-methylbutan-1-one

SMILES

CC(C)CC(N(CC1)Cc2c1n(C)nc2-c1nnc(-c(cccc2)c2Cl)o1)=O

InChI

InChI=1S/C20H22ClN5O2/c1-12(2)10-17(27)26-9-8-16-14(11-26)18(24-25(16)3)20-23-22-19(28-20)13-6-4-5-7-15(13)21/h4-7,12H,8-11H2,1-3H3

InChI Key

NXHMFZTVOYCYEM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15135198

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.88

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.676

Distribution Coefficient, logD

2.676

Water Solubility, LogSw

-3.55

Polar Surface Area

61.555

Acid Dissociation Constant (pKa)

22.82

Base Dissociation Constant (pKb)

7.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

L854-0722 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

Hsp90-Targeted Library (11355 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

SmartTM Library (51161 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
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with L854-0722 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L854-0722?
Check Price and Availability of L854-0722, 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 L854-0722 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L854-0722
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L854-0722
  • 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 L854-0722 available by request