Y041-5254 Screening compound: 2-(2-{[3-(4-chlorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetamido)-3-methylpentanoic acid

Y041-5254 Screening compound: 2-(2-{[3-(4-chlorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetamido)-3-methylpentanoic acid
Y041-5254 Screening compound: 2-(2-{[3-(4-chlorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetamido)-3-methylpentanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-5254
2-(2-{[3-(4-chlorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetamido)-3-methylpentanoic acid

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

Y041-5254

Molecular Formula

C24H24ClNO6 (C24 H24 ClNO6)

Compound Name

2-(2-{[3-(4-chlorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetamido)-3-methylpentanoic acid

IUPAC name

(2S3R)-2-(2-{[3-(4-chlorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetamido)-3-methylpentanoic acid

SMILES

CC[C@@H](C)[C@@H](C(O)=O)NC(COc(cc1)cc(OC(C)=C2c(cc3)ccc3Cl)c1C2=O)=O

InChI

InChI=1S/C24H24ClNO6/c1-4-13(2)22(24(29)30)26-20(27)12-31-17-9-10-18-19(11-17)32-14(3)21(23(18)28)15-5-7-16(25)8-6-15/h5-11,13,22H,4,12H2,1-3H3,(H,26,27)(H,29,30)/t13-,22+/m1/s1

InChI Key

DUHZALYNABWWKC-DMZKTXOQSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.91

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.935

Distribution Coefficient, logD

-0.652

Water Solubility, LogSw

-3.41

Polar Surface Area

80.057

Acid Dissociation Constant (pKa)

3.81

Base Dissociation Constant (pKb)

-0.89

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

29.20

Y041-5254 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with Y041-5254 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-5254?
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What is the minimum amount of Y041-5254 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-5254
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-5254
  • 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 Y041-5254 available by request