V003-6998 Screening compound: 1-(2-chlorophenyl)-N-(3-cyanophenyl)-1,2,3,4-tetrahydroisoquinoline-2-carboxamide

V003-6998 Screening compound: 1-(2-chlorophenyl)-N-(3-cyanophenyl)-1,2,3,4-tetrahydroisoquinoline-2-carboxamide
V003-6998 Screening compound: 1-(2-chlorophenyl)-N-(3-cyanophenyl)-1,2,3,4-tetrahydroisoquinoline-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-6998
1-(2-chlorophenyl)-N-(3-cyanophenyl)-1,2,3,4-tetrahydroisoquinoline-2-carboxamide

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

V003-6998

Molecular Formula

C23H18ClN3O (C23 H18 ClN3 O)

Compound Name

1-(2-chlorophenyl)-N-(3-cyanophenyl)-1,2,3,4-tetrahydroisoquinoline-2-carboxamide

IUPAC name

1-(2-chlorophenyl)-N-(3-cyanophenyl)-1234-tetrahydroisoquinoline-2-carboxamide

SMILES

N#Cc1cccc(NC(N(CCc2c3cccc2)C3c(cccc2)c2Cl)=O)c1

InChI

InChI=1S/C23H18ClN3O/c24-21-11-4-3-10-20(21)22-19-9-2-1-7-17(19)12-13-27(22)23(28)26-18-8-5-6-16(14-18)15-25/h1-11,14,22H,12-13H2,(H,26,28)/t22-/m0/s1

InChI Key

FLLDQCPEHQNQAZ-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14286057

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.87

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.672

Distribution Coefficient, logD

5.672

Water Solubility, LogSw

-6.06

Polar Surface Area

41.738

Acid Dissociation Constant (pKa)

12.83

Base Dissociation Constant (pKb)

-3.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.00

V003-6998 in Drug Discovery

Included in Screening Libraries

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

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V003-6998 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-6998?
Check Price and Availability of V003-6998, 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 V003-6998 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-6998
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-6998
  • 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 V003-6998 available by request