D634-0229 Screening compound: 3,5,9-trimethyl-6-[3-oxo-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]-7H-furo[3,2-g]chromen-7-one

D634-0229 Screening compound: 3,5,9-trimethyl-6-[3-oxo-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]-7H-furo[3,2-g]chromen-7-one
D634-0229 Screening compound: 3,5,9-trimethyl-6-[3-oxo-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]-7H-furo[3,2-g]chromen-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D634-0229
3,5,9-trimethyl-6-[3-oxo-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]-7H-furo[3,2-g]chromen-7-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

D634-0229

Molecular Formula

C26H25NO4 (C26 H25 NO4)

Compound Name

3,5,9-trimethyl-6-[3-oxo-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]-7H-furo[3,2-g]chromen-7-one

IUPAC name

359-trimethyl-6-[3-oxo-3-(1234-tetrahydroisoquinolin-2-yl)propyl]-7H-furo[32-g]chromen-7-one

SMILES

Cc(c1c2)coc1c(C)c(O1)c2C(C)=C(CCC(N(CC2)Cc3c2cccc3)=O)C1=O

InChI

InChI=1S/C26H25NO4/c1-15-14-30-24-17(3)25-22(12-21(15)24)16(2)20(26(29)31-25)8-9-23(28)27-11-10-18-6-4-5-7-19(18)13-27/h4-7,12,14H,8-11,13H2,1-3H3

InChI Key

AXALLDGRJPIBFB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13968853

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.769

Distribution Coefficient, logD

4.769

Water Solubility, LogSw

-4.64

Polar Surface Area

46.420

Acid Dissociation Constant (pKa)

23.02

Base Dissociation Constant (pKb)

-3.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

D634-0229 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D634-0229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D634-0229?
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What is the minimum amount of D634-0229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D634-0229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D634-0229
  • 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 D634-0229 available by request