D145-2437 Screening compound: methyl 4-{6,7-diethoxy-3-oxo-2-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}benzoate

D145-2437 Screening compound: methyl 4-{6,7-diethoxy-3-oxo-2-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}benzoate
D145-2437 Screening compound: methyl 4-{6,7-diethoxy-3-oxo-2-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D145-2437
methyl 4-{6,7-diethoxy-3-oxo-2-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}benzoate

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

D145-2437

Molecular Formula

C30H33NO5 (C30 H33 NO5)

Compound Name

methyl 4-{6,7-diethoxy-3-oxo-2-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}benzoate

IUPAC name

methyl 4-{67-diethoxy-3-oxo-2-[4-(propan-2-yl)phenyl]-1234-tetrahydroisoquinolin-1-yl}benzoate

SMILES

CCOc1cc(CC(N(C2c(cc3)ccc3C(OC)=O)c3ccc(C(C)C)cc3)=O)c2cc1OCC

InChI

InChI=1S/C30H33NO5/c1-6-35-26-16-23-17-28(32)31(24-14-12-20(13-15-24)19(3)4)29(25(23)18-27(26)36-7-2)21-8-10-22(11-9-21)30(33)34-5/h8-16,18-19,29H,6-7,17H2,1-5H3/t29-/m0/s1

InChI Key

FTSFQFGAHPEESM-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD14812600

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.702

Distribution Coefficient, logD

5.702

Water Solubility, LogSw

-5.47

Polar Surface Area

50.912

Acid Dissociation Constant (pKa)

15.38

Base Dissociation Constant (pKb)

-5.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

D145-2437 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D145-2437 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D145-2437?
Check Price and Availability of D145-2437, 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 D145-2437 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D145-2437
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D145-2437
  • 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 D145-2437 available by request