Y040-4358 Screening compound: 4-{[2-({6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl}oxy)propanamido]methyl}cyclohexane-1-carboxylic acid

Y040-4358 Screening compound: 4-{[2-({6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl}oxy)propanamido]methyl}cyclohexane-1-carboxylic acid
Y040-4358 Screening compound: 4-{[2-({6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl}oxy)propanamido]methyl}cyclohexane-1-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-4358
4-{[2-({6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-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

Y040-4358

Molecular Formula

C24H29NO6 (C24 H29 NO6)

Compound Name

4-{[2-({6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl}oxy)propanamido]methyl}cyclohexane-1-carboxylic acid

IUPAC name

(1r4r)-4-{[2-({6-oxo-6H7H8H9H10H-cyclohexa[c]chromen-3-yl}oxy)propanamido]methyl}cyclohexane-1-carboxylic acid

SMILES

CC(C(NC[C@H](CC1)CC[C@@H]1C(O)=O)=O)Oc(cc1)cc(O2)c1C(CCCC1)=C1C2=O

InChI

InChI=1S/C24H29NO6/c1-14(22(26)25-13-15-6-8-16(9-7-15)23(27)28)30-17-10-11-19-18-4-2-3-5-20(18)24(29)31-21(19)12-17/h10-12,14-16H,2-9,13H2,1H3,(H,25,26)(H,27,28)/t14-,15?,16?/m0/s1

InChI Key

KHZBGCXATFJJRM-FHERZECASA-N

MDL Number (MFCD)

MFCD05702484

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.263

Distribution Coefficient, logD

0.703

Water Solubility, LogSw

-3.45

Polar Surface Area

80.883

Acid Dissociation Constant (pKa)

4.84

Base Dissociation Constant (pKb)

4.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.20

Y040-4358 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Lipid Metabolism Library (9174 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with Y040-4358 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-4358?
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What is the minimum amount of Y040-4358 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-4358
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-4358
  • 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 Y040-4358 available by request