D715-0699 Screening compound: 3-[3-(4a-hydroxy-decahydroisoquinolin-2-yl)-3-oxopropyl]-7-hydroxy-4-methyl-2H-chromen-2-one

D715-0699 Screening compound: 3-[3-(4a-hydroxy-decahydroisoquinolin-2-yl)-3-oxopropyl]-7-hydroxy-4-methyl-2H-chromen-2-one
D715-0699 Screening compound: 3-[3-(4a-hydroxy-decahydroisoquinolin-2-yl)-3-oxopropyl]-7-hydroxy-4-methyl-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D715-0699
3-[3-(4a-hydroxy-decahydroisoquinolin-2-yl)-3-oxopropyl]-7-hydroxy-4-methyl-2H-chromen-2-one

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

D715-0699

Molecular Formula

C22H27NO5 (C22 H27 NO5)

Compound Name

3-[3-(4a-hydroxy-decahydroisoquinolin-2-yl)-3-oxopropyl]-7-hydroxy-4-methyl-2H-chromen-2-one

IUPAC name

3-[3-(4a-hydroxy-decahydroisoquinolin-2-yl)-3-oxopropyl]-7-hydroxy-4-methyl-2H-chromen-2-one

SMILES

CC(c(ccc(O)c1)c1O1)=C(CCC(N(CC2)CC(CCCC3)C23O)=O)C1=O

InChI

InChI=1S/C22H27NO5/c1-14-17-6-5-16(24)12-19(17)28-21(26)18(14)7-8-20(25)23-11-10-22(27)9-3-2-4-15(22)13-23/h5-6,12,15,24,27H,2-4,7-11,13H2,1H3

InChI Key

DOXLFTXIBWNBEV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10040847

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.399

Distribution Coefficient, logD

2.370

Water Solubility, LogSw

-2.74

Polar Surface Area

69.770

Acid Dissociation Constant (pKa)

8.56

Base Dissociation Constant (pKb)

-1.26

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

54.50

D715-0699 in Drug Discovery

Included in Screening Libraries

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

SmartTM Library (51161 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

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

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
Therapeutical areas:
  • Cancer
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with D715-0699 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D715-0699?
Check Price and Availability of D715-0699, 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 D715-0699 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D715-0699
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D715-0699
  • 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 D715-0699 available by request