Y041-2280 Screening compound: 4-{[2-({8-methoxy-4-methyl-6-oxo-6H-benzo[c]chromen-3-yl}oxy)propanamido]methyl}cyclohexane-1-carboxylic acid

Y041-2280 Screening compound: 4-{[2-({8-methoxy-4-methyl-6-oxo-6H-benzo[c]chromen-3-yl}oxy)propanamido]methyl}cyclohexane-1-carboxylic acid
Y041-2280 Screening compound: 4-{[2-({8-methoxy-4-methyl-6-oxo-6H-benzo[c]chromen-3-yl}oxy)propanamido]methyl}cyclohexane-1-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-2280
4-{[2-({8-methoxy-4-methyl-6-oxo-6H-benzo[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

Y041-2280

Molecular Formula

C26H29NO7 (C26 H29 NO7)

Compound Name

4-{[2-({8-methoxy-4-methyl-6-oxo-6H-benzo[c]chromen-3-yl}oxy)propanamido]methyl}cyclohexane-1-carboxylic acid

IUPAC name

(1r4r)-4-{[2-({8-methoxy-4-methyl-6-oxo-6H-benzo[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)c(C)c(O2)c1-c(ccc(OC)c1)c1C2=O

InChI

InChI=1S/C26H29NO7/c1-14-22(33-15(2)24(28)27-13-16-4-6-17(7-5-16)25(29)30)11-10-20-19-9-8-18(32-3)12-21(19)26(31)34-23(14)20/h8-12,15-17H,4-7,13H2,1-3H3,(H,27,28)(H,29,30)/t15-,16?,17?/m0/s1

InChI Key

UNQWRJQUEITUOQ-GTPINHCMSA-N

MDL Number (MFCD)

MFCD10041660

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.947

Distribution Coefficient, logD

1.387

Water Solubility, LogSw

-5.14

Polar Surface Area

88.006

Acid Dissociation Constant (pKa)

4.84

Base Dissociation Constant (pKb)

-0.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.30

Y041-2280 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 Y041-2280 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-2280?
Check Price and Availability of Y041-2280, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y041-2280 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-2280
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-2280
  • 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 Y041-2280 available by request