V002-5394 Screening compound: 1-[1-(2-chlorophenyl)-1,2,3,4-tetrahydroisoquinolin-2-yl]-2,2-diphenylethan-1-one

V002-5394 Screening compound: 1-[1-(2-chlorophenyl)-1,2,3,4-tetrahydroisoquinolin-2-yl]-2,2-diphenylethan-1-one
V002-5394 Screening compound: 1-[1-(2-chlorophenyl)-1,2,3,4-tetrahydroisoquinolin-2-yl]-2,2-diphenylethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-5394
1-[1-(2-chlorophenyl)-1,2,3,4-tetrahydroisoquinolin-2-yl]-2,2-diphenylethan-1-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

V002-5394

Molecular Formula

C29H24ClNO (C29 H24 ClNO)

Compound Name

1-[1-(2-chlorophenyl)-1,2,3,4-tetrahydroisoquinolin-2-yl]-2,2-diphenylethan-1-one

IUPAC name

1-[1-(2-chlorophenyl)-1234-tetrahydroisoquinolin-2-yl]-22-diphenylethan-1-one

SMILES

O=C(C(c1ccccc1)c1ccccc1)N(CCc1c2cccc1)C2c(cccc1)c1Cl

InChI

InChI=1S/C29H24ClNO/c30-26-18-10-9-17-25(26)28-24-16-8-7-11-21(24)19-20-31(28)29(32)27(22-12-3-1-4-13-22)23-14-5-2-6-15-23/h1-18,27-28H,19-20H2/t28-/m0/s1

InChI Key

MVLMQQXJLHEDOH-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD19957731

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.97

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

7.252

Distribution Coefficient, logD

7.252

Water Solubility, LogSw

-6.62

Polar Surface Area

15.590

Acid Dissociation Constant (pKa)

15.03

Base Dissociation Constant (pKb)

-4.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.80

V002-5394 in Drug Discovery

Included in Screening Libraries

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

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V002-5394 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-5394?
Check Price and Availability of V002-5394, 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 V002-5394 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-5394
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-5394
  • 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 V002-5394 available by request