D145-2179 Screening compound: 6,7-diethoxy-2-(3-fluoro-4-methylphenyl)-1-(3-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-3-one

D145-2179 Screening compound: 6,7-diethoxy-2-(3-fluoro-4-methylphenyl)-1-(3-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-3-one
D145-2179 Screening compound: 6,7-diethoxy-2-(3-fluoro-4-methylphenyl)-1-(3-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D145-2179
6,7-diethoxy-2-(3-fluoro-4-methylphenyl)-1-(3-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-3-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

D145-2179

Molecular Formula

C27H28FNO3 (C27 H28 FNO3)

Compound Name

6,7-diethoxy-2-(3-fluoro-4-methylphenyl)-1-(3-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-3-one

IUPAC name

67-diethoxy-2-(3-fluoro-4-methylphenyl)-1-(3-methylphenyl)-1234-tetrahydroisoquinolin-3-one

SMILES

CCOc1cc(CC(N(C2c3cc(C)ccc3)c3cc(F)c(C)cc3)=O)c2cc1OCC

InChI

InChI=1S/C27H28FNO3/c1-5-31-24-13-20-14-26(30)29(21-11-10-18(4)23(28)15-21)27(19-9-7-8-17(3)12-19)22(20)16-25(24)32-6-2/h7-13,15-16,27H,5-6,14H2,1-4H3/t27-/m0/s1

InChI Key

OYSHGBGAKPLBCJ-MHZLTWQESA-N

MDL Number (MFCD)

MFCD14812554

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.487

Distribution Coefficient, logD

5.487

Water Solubility, LogSw

-5.35

Polar Surface Area

29.738

Acid Dissociation Constant (pKa)

14.99

Base Dissociation Constant (pKb)

-4.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.60

D145-2179 in Drug Discovery

Included in Screening Libraries

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

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D145-2179 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D145-2179?
Check Price and Availability of D145-2179, 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 D145-2179 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D145-2179
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D145-2179
  • 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 D145-2179 available by request