D145-2229 Screening compound: 1-(4-chlorophenyl)-6,7-diethoxy-2-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydroisoquinolin-3-one

D145-2229 Screening compound: 1-(4-chlorophenyl)-6,7-diethoxy-2-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydroisoquinolin-3-one
D145-2229 Screening compound: 1-(4-chlorophenyl)-6,7-diethoxy-2-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydroisoquinolin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D145-2229
1-(4-chlorophenyl)-6,7-diethoxy-2-[4-(propan-2-yl)phenyl]-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

D145-2229

Molecular Formula

C28H30ClNO3 (C28 H30 ClNO3)

Compound Name

1-(4-chlorophenyl)-6,7-diethoxy-2-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydroisoquinolin-3-one

IUPAC name

1-(4-chlorophenyl)-67-diethoxy-2-[4-(propan-2-yl)phenyl]-1234-tetrahydroisoquinolin-3-one

SMILES

CCOc1cc(CC(N(C2c(cc3)ccc3Cl)c3ccc(C(C)C)cc3)=O)c2cc1OCC

InChI

InChI=1S/C28H30ClNO3/c1-5-32-25-15-21-16-27(31)30(23-13-9-19(10-14-23)18(3)4)28(20-7-11-22(29)12-8-20)24(21)17-26(25)33-6-2/h7-15,17-18,28H,5-6,16H2,1-4H3/t28-/m0/s1

InChI Key

KGAGQABUGZXYNP-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD14812575

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.206

Distribution Coefficient, logD

6.206

Water Solubility, LogSw

-6.37

Polar Surface Area

29.738

Acid Dissociation Constant (pKa)

15.38

Base Dissociation Constant (pKb)

-5.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.10

D145-2229 in Drug Discovery

Included in Screening Libraries

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 D145-2229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D145-2229?
Check Price and Availability of D145-2229, 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 D145-2229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D145-2229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D145-2229
  • 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 D145-2229 available by request