M334-0191 Screening compound: N-cyclopentyl-2-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2-oxo-3-(propan-2-yl)-2,3-dihydro-1H-1,3-benzodiazol-1-yl]-N-[(thiophen-2-yl)methyl]acetamide

Chemical Structure Depiction of ChemDiv screening compound M334-0191
N-cyclopentyl-2-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2-oxo-3-(propan-2-yl)-2,3-dihydro-1H-1,3-benzodiazol-1-yl]-N-[(thiophen-2-yl)methyl]acetamide

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

M334-0191

Molecular Formula

C₂₅H₂₉N₅O₃S (C25 H29 N5 O3 S)

Compound Name

N-cyclopentyl-2-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2-oxo-3-(propan-2-yl)-2,3-dihydro-1H-1,3-benzodiazol-1-yl]-N-[(thiophen-2-yl)methyl]acetamide

IUPAC name

N-cyclopentyl-2-[6-(5-methyl-124-oxadiazol-3-yl)-2-oxo-3-(propan-2-yl)-23-dihydro-1H-13-benzodiazol-1-yl]-N-[(thiophen-2-yl)methyl]acetamide

SMILES

CC(C)N(c(ccc(-c1noc(C)n1)c1)c1N1CC(N(Cc2cccs2)C2CCCC2)=O)C1=O

InChI

InChI=1S/C25H29N5O3S/c1-16(2)30-21-11-10-18(24-26-17(3)33-27-24)13-22(21)29(25(30)32)15-23(31)28(19-7-4-5-8-19)14-20-9-6-12-34-20/h6,9-13,16,19H,4-5,7-8,14-15H2,1-3H3

InChI Key

JYZZPMTXEDMTOL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27536956

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

4.733

Distribution Coefficient, logD

4.733

Water Solubility, LogSw

-4.58

Polar Surface Area

65.059

Acid Dissociation Constant (pK_a)

21.00

Base Dissociation Constant (pK_b)

0.57

Number of Chiral Centers

0.00

Percent sp³ carbon bonding

44.00

M334-0191 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

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

GPCR Targeted Library (31838 compounds)

Hsp90-Targeted Library (11355 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:

Cancer
Female
Congenital
Skin
Musculoskeletal
Respiratory tract
Nervous system
Congenital
Skin
Metabolic
Endocrine
Cancer
Digestive system
Respiratory tract
Male
Female
Hemic and lymphatic
Immune system
Cancer
Musculoskeletal
Digestive system
Respiratory tract
Male
Female
Hemic and lymphatic
Metabolic

Targets:

Kinases
GPCR
Others

Mechanism of action:

Receptor's ligands
PPI modulators
Epigenetic
PPI modulators

Structure:

Mimetics
Mimetics

References: we are preparing a list of scientific research reports with M334-0191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M334-0191?
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What is the minimum amount of M334-0191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for M334-0191
ChemDiv sends parcels with Express services (UPS, WC).

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

Delivery formats for M334-0191

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 M334-0191 available by request