L870-0122 Screening compound: 3-{[(4-fluorobenzoyl)anilino]methyl}-1-methyl-N-(tetrahydro-2-furanylmethyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide

Chemical Structure Depiction of ChemDiv screening compound L870-0122
3-{[(4-fluorobenzoyl)anilino]methyl}-1-methyl-N-(tetrahydro-2-furanylmethyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide

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)

Check Price and Availability

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

L870-0122

Molecular Formula

C₂₇H₃₀FN₅O₃ (C27 H30 FN5 O3)

Compound Name

3-{[(4-fluorobenzoyl)anilino]methyl}-1-methyl-N-(tetrahydro-2-furanylmethyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide

IUPAC name

3-{[1-(4-fluorophenyl)-N-phenylformamido]methyl}-1-methyl-N-[(oxolan-2-yl)methyl]-1H4H5H6H7H-pyrazolo[43-c]pyridine-5-carboxamide

SMILES

Cn1nc(CN(C(c(cc2)ccc2F)=O)c2ccccc2)c(C2)c1CCN2C(NCC1OCCC1)=O

InChI

InChI=1S/C27H30FN5O3/c1-31-25-13-14-32(27(35)29-16-22-8-5-15-36-22)17-23(25)24(30-31)18-33(21-6-3-2-4-7-21)26(34)19-9-11-20(28)12-10-19/h2-4,6-7,9-12,22H,5,8,13-18H2,1H3,(H,29,35)

InChI Key

FOQWWGYPRHJLBA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27483059

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

2.187

Distribution Coefficient, logD

2.187

Water Solubility, LogSw

-2.59

Polar Surface Area

66.210

Acid Dissociation Constant (pK_a)

15.74

Base Dissociation Constant (pK_b)

3.89

Number of Chiral Centers

1.00

Percent sp³ carbon bonding

37.04

L870-0122 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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 Kinases Inhibitors Library (36801 compounds)

Protein-Protein Interaction Library (218420 compounds)

New Agro Library (44492 compounds)

Peptidomimetics of Beta-Turn Motifs Library (2153 compounds)

Included in 1.7M Stock Database

Therapeutical areas:

Antiviral
Infections
Immune system
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
Cancer
Digestive system
Respiratory tract
Otorhinolaryngologic
Nervous system
Hemic and lymphatic
Cardiovascular

Targets:

Proteases
Kinases

Mechanism of action:

PPI modulators
PPI modulators
PPI modulators

Structure:

Mimetics
Mimetics

Agro:

Agro

References: we are preparing a list of scientific research reports with L870-0122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L870-0122?
Check Price and Availability of L870-0122, 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 L870-0122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for L870-0122
ChemDiv sends parcels with Express services (UPS, WC).

1–2 days for small orders
2–4 weeks for large selections

Delivery formats for L870-0122

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 L870-0122 available by request