D463-0100 Screening compound: 1-[3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-4-[2-(naphthalen-1-yloxy)ethyl]piperazine

D463-0100 Screening compound: 1-[3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-4-[2-(naphthalen-1-yloxy)ethyl]piperazine
D463-0100 Screening compound: 1-[3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-4-[2-(naphthalen-1-yloxy)ethyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound D463-0100
1-[3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-4-[2-(naphthalen-1-yloxy)ethyl]piperazine

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

D463-0100

Molecular Formula

C29H28FN5O (C29 H28 FN5 O)

Compound Name

1-[3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-4-[2-(naphthalen-1-yloxy)ethyl]piperazine

IUPAC name

1-[3-(4-fluorophenyl)-5-methylpyrazolo[15-a]pyrimidin-7-yl]-4-[2-(naphthalen-1-yloxy)ethyl]piperazine

SMILES

Cc(cc(n1nc2)N3CCN(CCOc4cccc5ccccc45)CC3)nc1c2-c(cc1)ccc1F

InChI

InChI=1S/C29H28FN5O/c1-21-19-28(35-29(32-21)26(20-31-35)23-9-11-24(30)12-10-23)34-15-13-33(14-16-34)17-18-36-27-8-4-6-22-5-2-3-7-25(22)27/h2-12,19-20H,13-18H2,1H3

InChI Key

IYQMZMLILTXXRW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14830095

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.57

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.401

Distribution Coefficient, logD

5.070

Water Solubility, LogSw

-6.80

Polar Surface Area

33.256

Acid Dissociation Constant (pKa)

25.75

Base Dissociation Constant (pKb)

8.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

D463-0100 in Drug Discovery

Included in Screening Libraries

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

Akt-Targeted Library (14764 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 D463-0100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D463-0100?
Check Price and Availability of D463-0100, 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 D463-0100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D463-0100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D463-0100
  • 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 D463-0100 available by request