3909-9824 Screening compound: 1-[4-(pyridin-2-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]isoquinoline-4-carboxamide

3909-9824 Screening compound: 1-[4-(pyridin-2-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]isoquinoline-4-carboxamide
3909-9824 Screening compound: 1-[4-(pyridin-2-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]isoquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3909-9824
1-[4-(pyridin-2-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]isoquinoline-4-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

3909-9824

Molecular Formula

C26H22F3N5O (C26 H22 F3 N5 O)

Compound Name

1-[4-(pyridin-2-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]isoquinoline-4-carboxamide

IUPAC name

1-[4-(pyridin-2-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]isoquinoline-4-carboxamide

SMILES

O=C(c(c1ccccc11)cnc1N(CC1)CCN1c1ncccc1)Nc1ccc(C(F)(F)F)cc1

InChI

InChI=1S/C26H22F3N5O/c27-26(28,29)18-8-10-19(11-9-18)32-25(35)22-17-31-24(21-6-2-1-5-20(21)22)34-15-13-33(14-16-34)23-7-3-4-12-30-23/h1-12,17H,13-16H2,(H,32,35)

InChI Key

WWOTUPOBOPJSPD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14709301

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.905

Distribution Coefficient, logD

5.899

Water Solubility, LogSw

-6.07

Polar Surface Area

47.353

Acid Dissociation Constant (pKa)

12.72

Base Dissociation Constant (pKb)

5.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

3909-9824 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Anticancer Library (62698 compounds)

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

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3909-9824 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3909-9824?
Check Price and Availability of 3909-9824, 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 3909-9824 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3909-9824
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3909-9824
  • 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 3909-9824 available by request