Y042-7397 Screening compound: N~1~-[(1S)-1-(1H-1,3-benzimidazol-2-yl)-3-methylbutyl]-2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamide

Y042-7397 Screening compound: N~1~-[(1S)-1-(1H-1,3-benzimidazol-2-yl)-3-methylbutyl]-2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamide
Y042-7397 Screening compound: N~1~-[(1S)-1-(1H-1,3-benzimidazol-2-yl)-3-methylbutyl]-2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-7397
N~1~-[(1S)-1-(1H-1,3-benzimidazol-2-yl)-3-methylbutyl]-2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]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)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

Y042-7397

Molecular Formula

C24H25N3O4 (C24 H25 N3 O4)

Compound Name

N~1~-[(1S)-1-(1H-1,3-benzimidazol-2-yl)-3-methylbutyl]-2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamide

IUPAC name

N-[(1S)-1-(1H-13-benzodiazol-2-yl)-3-methylbutyl]-2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamide

SMILES

CC(C)CC(c1nc(cccc2)c2[nH]1)NC(COc(cc1)cc(O2)c1C(C)=CC2=O)=O

InChI

InChI=1S/C24H25N3O4/c1-14(2)10-20(24-26-18-6-4-5-7-19(18)27-24)25-22(28)13-30-16-8-9-17-15(3)11-23(29)31-21(17)12-16/h4-9,11-12,14,20H,10,13H2,1-3H3,(H,25,28)(H,26,27)/t20-/m0/s1

InChI Key

LCJOSOBVERODAQ-FQEVSTJZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.669

Distribution Coefficient, logD

3.663

Water Solubility, LogSw

-4.05

Polar Surface Area

71.266

Acid Dissociation Constant (pKa)

11.68

Base Dissociation Constant (pKb)

5.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.17

Y042-7397 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Lipid Metabolism Library (9174 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with Y042-7397 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-7397?
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What is the minimum amount of Y042-7397 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-7397
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-7397
  • 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 Y042-7397 available by request