D503-0041 Screening compound: 1-{3,5-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl}-4-[2-(naphthalen-1-yloxy)ethyl]piperazine

D503-0041 Screening compound: 1-{3,5-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl}-4-[2-(naphthalen-1-yloxy)ethyl]piperazine
D503-0041 Screening compound: 1-{3,5-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl}-4-[2-(naphthalen-1-yloxy)ethyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound D503-0041
1-{3,5-dimethyl-2-phenylpyrazolo[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

D503-0041

Molecular Formula

C30H31N5O (C30 H31 N5 O)

Compound Name

1-{3,5-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl}-4-[2-(naphthalen-1-yloxy)ethyl]piperazine

IUPAC name

1-{35-dimethyl-2-phenylpyrazolo[15-a]pyrimidin-7-yl}-4-[2-(naphthalen-1-yloxy)ethyl]piperazine

SMILES

Cc(c(-c1ccccc1)nn12)c2nc(C)cc1N1CCN(CCOc2cccc3ccccc23)CC1

InChI

InChI=1S/C30H31N5O/c1-22-21-28(35-30(31-22)23(2)29(32-35)25-10-4-3-5-11-25)34-17-15-33(16-18-34)19-20-36-27-14-8-12-24-9-6-7-13-26(24)27/h3-14,21H,15-20H2,1-2H3

InChI Key

QJNVOGGIBHDVLE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18180834

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.61

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

6.287

Distribution Coefficient, logD

3.651

Water Solubility, LogSw

-6.82

Polar Surface Area

33.802

Acid Dissociation Constant (pKa)

19.59

Base Dissociation Constant (pKb)

10.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

D503-0041 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D503-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D503-0041?
Check Price and Availability of D503-0041, 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 D503-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D503-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D503-0041
  • 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 D503-0041 available by request