T479-0721 Screening compound: N-{1-[5-(piperidin-1-yl)pyrimidin-4-yl]-1H-pyrazol-4-yl}-2H-1,3-benzodioxole-5-carboxamide

T479-0721 Screening compound: N-{1-[5-(piperidin-1-yl)pyrimidin-4-yl]-1H-pyrazol-4-yl}-2H-1,3-benzodioxole-5-carboxamide
T479-0721 Screening compound: N-{1-[5-(piperidin-1-yl)pyrimidin-4-yl]-1H-pyrazol-4-yl}-2H-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T479-0721
N-{1-[5-(piperidin-1-yl)pyrimidin-4-yl]-1H-pyrazol-4-yl}-2H-1,3-benzodioxole-5-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

T479-0721

Molecular Formula

C20H20N6O3 (C20 H20 N6 O3)

Compound Name

N-{1-[5-(piperidin-1-yl)pyrimidin-4-yl]-1H-pyrazol-4-yl}-2H-1,3-benzodioxole-5-carboxamide

IUPAC name

N-{1-[5-(piperidin-1-yl)pyrimidin-4-yl]-1H-pyrazol-4-yl}-2H-13-benzodioxole-5-carboxamide

SMILES

O=C(c(cc1)cc2c1OCO2)Nc1cn(-c2ncncc2N2CCCCC2)nc1

InChI

InChI=1S/C20H20N6O3/c27-20(14-4-5-17-18(8-14)29-13-28-17)24-15-9-23-26(11-15)19-16(10-21-12-22-19)25-6-2-1-3-7-25/h4-5,8-12H,1-3,6-7,13H2,(H,24,27)

InChI Key

XFOVNOQZYAXTJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27621689

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.522

Distribution Coefficient, logD

2.521

Water Solubility, LogSw

-2.96

Polar Surface Area

78.167

Acid Dissociation Constant (pKa)

11.41

Base Dissociation Constant (pKb)

4.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

T479-0721 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with T479-0721 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T479-0721?
Check Price and Availability of T479-0721, 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 T479-0721 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T479-0721
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T479-0721
  • 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 T479-0721 available by request