Y040-2708 Screening compound: N-[2-(4a-hydroxy-decahydroisoquinolin-2-yl)-2-oxoethyl]-2-({6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl}oxy)acetamide

Chemical Structure Depiction of ChemDiv screening compound Y040-2708
N-[2-(4a-hydroxy-decahydroisoquinolin-2-yl)-2-oxoethyl]-2-({6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-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)

Check Price and Availability

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

Y040-2708

Molecular Formula

C₂₆H₃₂N₂O₆ (C26 H32 N2 O6)

Compound Name

N-[2-(4a-hydroxy-decahydroisoquinolin-2-yl)-2-oxoethyl]-2-({6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl}oxy)acetamide

IUPAC name

N-[2-(4a-hydroxy-decahydroisoquinolin-2-yl)-2-oxoethyl]-2-({6-oxo-6H7H8H9H10H-cyclohexa[c]chromen-3-yl}oxy)acetamide

SMILES

OC(CCCC1)(CC2)C1CN2C(CNC(COc(cc1)cc(O2)c1C(CCCC1)=C1C2=O)=O)=O

InChI

InChI=1S/C26H32N2O6/c29-23(27-14-24(30)28-12-11-26(32)10-4-3-5-17(26)15-28)16-33-18-8-9-20-19-6-1-2-7-21(19)25(31)34-22(20)13-18/h8-9,13,17,32H,1-7,10-12,14-16H2,(H,27,29)

InChI Key

GAEKFQZLPDRKLJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10040816

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

2.730

Distribution Coefficient, logD

2.730

Water Solubility, LogSw

-3.39

Polar Surface Area

84.044

Acid Dissociation Constant (pK_a)

13.24

Base Dissociation Constant (pK_b)

4.33

Number of Chiral Centers

2.00

Percent sp³ carbon bonding

57.70

Y040-2708 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

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

GPCR Targeted Library (31838 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

New Agro Library (44492 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:

Cancer
Musculoskeletal
Respiratory tract
Nervous system
Congenital
Skin
Metabolic
Endocrine
Cancer
Musculoskeletal
Digestive system
Respiratory tract
Male
Female
Hemic and lymphatic
Metabolic
Cancer
Nervous system
Male
Female
Hemic and lymphatic
Skin
Endocrine

Targets:

GPCR
Others
Phosphatases

Mechanism of action:

Receptor's ligands
Epigenetic

Agro:

Agro

References: we are preparing a list of scientific research reports with Y040-2708 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-2708?
Check Price and Availability of Y040-2708, 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 Y040-2708 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for Y040-2708
ChemDiv sends parcels with Express services (UPS, WC).

1–2 days for small orders
2–4 weeks for large selections

Delivery formats for Y040-2708

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 Y040-2708 available by request