L774-0223 Screening compound: 1-(1-methyl-3-{[(2-methylbenzyl)oxy]methyl}-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)-2-(3-methylphenyl)-1-ethanone

Chemical Structure Depiction of ChemDiv screening compound L774-0223
1-(1-methyl-3-{[(2-methylbenzyl)oxy]methyl}-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)-2-(3-methylphenyl)-1-ethanone

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)

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Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

L774-0223

Molecular Formula

C₂₅H₂₉N₃O₂ (C25 H29 N3 O2)

Compound Name

1-(1-methyl-3-{[(2-methylbenzyl)oxy]methyl}-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)-2-(3-methylphenyl)-1-ethanone

IUPAC name

1-(1-methyl-3-{[(2-methylphenyl)methoxy]methyl}-1H4H5H6H7H-pyrazolo[43-c]pyridin-5-yl)-2-(3-methylphenyl)ethan-1-one

SMILES

Cc1cccc(CC(N(CC2)Cc3c2n(C)nc3COCc2c(C)cccc2)=O)c1

InChI

InChI=1S/C25H29N3O2/c1-18-7-6-9-20(13-18)14-25(29)28-12-11-24-22(15-28)23(26-27(24)3)17-30-16-21-10-5-4-8-19(21)2/h4-10,13H,11-12,14-17H2,1-3H3

InChI Key

DWMRKYGOBQRGJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27474154

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

4.282

Distribution Coefficient, logD

4.282

Water Solubility, LogSw

-4.48

Polar Surface Area

39.697

Acid Dissociation Constant (pK_a)

17.36

Base Dissociation Constant (pK_b)

9.51

Number of Chiral Centers

0.00

Percent sp³ carbon bonding

36.00

L774-0223 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)

Protein Kinases Inhibitors Library (36801 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 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
Cancer
Digestive system
Respiratory tract
Otorhinolaryngologic
Nervous system
Hemic and lymphatic
Cardiovascular

Targets:

Proteases
Kinases

Mechanism of action:

PPI modulators

Structure:

Cyclic compounds

References: we are preparing a list of scientific research reports with L774-0223 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L774-0223?
Check Price and Availability of L774-0223, 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 L774-0223 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for L774-0223
ChemDiv sends parcels with Express services (UPS, WC).

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

Delivery formats for L774-0223

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 L774-0223 available by request