L162-0333 Screening compound: 1-[4-(4-fluorophenyl)piperazin-1-yl]-7-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]isoquinoline

L162-0333 Screening compound: 1-[4-(4-fluorophenyl)piperazin-1-yl]-7-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]isoquinoline
L162-0333 Screening compound: 1-[4-(4-fluorophenyl)piperazin-1-yl]-7-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]isoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound L162-0333
1-[4-(4-fluorophenyl)piperazin-1-yl]-7-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]isoquinoline

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

L162-0333

Molecular Formula

C28H28FN7O (C28 H28 FN7 O)

Compound Name

1-[4-(4-fluorophenyl)piperazin-1-yl]-7-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]isoquinoline

IUPAC name

1-[4-(4-fluorophenyl)piperazin-1-yl]-7-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]isoquinoline

SMILES

O=C(c1ccc(ccnc2N(CC3)CCN3c(cc3)ccc3F)c2c1)N(CC1)CCN1c1ncccn1

InChI

InChI=1S/C28H28FN7O/c29-23-4-6-24(7-5-23)33-12-14-34(15-13-33)26-25-20-22(3-2-21(25)8-11-30-26)27(37)35-16-18-36(19-17-35)28-31-9-1-10-32-28/h1-11,20H,12-19H2

InChI Key

RFZCXZXQEKBKRU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27235251

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.212

Distribution Coefficient, logD

4.198

Water Solubility, LogSw

-4.24

Polar Surface Area

53.931

Acid Dissociation Constant (pKa)

21.00

Base Dissociation Constant (pKb)

5.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

L162-0333 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L162-0333 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L162-0333?
Check Price and Availability of L162-0333, 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 L162-0333 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L162-0333
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L162-0333
  • 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 L162-0333 available by request