Y041-2282 Screening compound: 4-({2-[(6-ethyl-2-oxo-4-phenyl-2H-chromen-7-yl)oxy]propanamido}methyl)cyclohexane-1-carboxylic acid

Y041-2282 Screening compound: 4-({2-[(6-ethyl-2-oxo-4-phenyl-2H-chromen-7-yl)oxy]propanamido}methyl)cyclohexane-1-carboxylic acid
Y041-2282 Screening compound: 4-({2-[(6-ethyl-2-oxo-4-phenyl-2H-chromen-7-yl)oxy]propanamido}methyl)cyclohexane-1-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-2282
4-({2-[(6-ethyl-2-oxo-4-phenyl-2H-chromen-7-yl)oxy]propanamido}methyl)cyclohexane-1-carboxylic 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

Y041-2282

Molecular Formula

C28H31NO6 (C28 H31 NO6)

Compound Name

4-({2-[(6-ethyl-2-oxo-4-phenyl-2H-chromen-7-yl)oxy]propanamido}methyl)cyclohexane-1-carboxylic acid

IUPAC name

(1r4r)-4-({2-[(6-ethyl-2-oxo-4-phenyl-2H-chromen-7-yl)oxy]propanamido}methyl)cyclohexane-1-carboxylic acid

SMILES

CCc(c(OC(C)C(NC[C@H](CC1)CC[C@@H]1C(O)=O)=O)c1)cc(C(c2ccccc2)=C2)c1OC2=O

InChI

InChI=1S/C28H31NO6/c1-3-19-13-23-22(20-7-5-4-6-8-20)14-26(30)35-25(23)15-24(19)34-17(2)27(31)29-16-18-9-11-21(12-10-18)28(32)33/h4-8,13-15,17-18,21H,3,9-12,16H2,1-2H3,(H,29,31)(H,32,33)/t17-,18?,21?/m0/s1

InChI Key

BLKPFCUMGVQKSL-XPQZIERPSA-N

MDL Number (MFCD)

MFCD10041661

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.56

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

4.333

Distribution Coefficient, logD

1.773

Water Solubility, LogSw

-4.26

Polar Surface Area

80.263

Acid Dissociation Constant (pKa)

4.84

Base Dissociation Constant (pKb)

-0.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.30

Y041-2282 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y041-2282 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-2282?
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What is the minimum amount of Y041-2282 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-2282
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-2282
  • 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 Y041-2282 available by request