T479-0944 Screening compound: N-(tert-butyl)-N'-{1-[5-(4-methylpiperidino)-4-pyrimidinyl]-1H-pyrazol-4-yl}urea

T479-0944 Screening compound: N-(tert-butyl)-N'-{1-[5-(4-methylpiperidino)-4-pyrimidinyl]-1H-pyrazol-4-yl}urea
T479-0944 Screening compound: N-(tert-butyl)-N'-{1-[5-(4-methylpiperidino)-4-pyrimidinyl]-1H-pyrazol-4-yl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound T479-0944
N-(tert-butyl)-N'-{1-[5-(4-methylpiperidino)-4-pyrimidinyl]-1H-pyrazol-4-yl}urea

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

T479-0944

Molecular Formula

C18H27N7O (C18 H27 N7 O)

Compound Name

N-(tert-butyl)-N'-{1-[5-(4-methylpiperidino)-4-pyrimidinyl]-1H-pyrazol-4-yl}urea

IUPAC name

3-tert-butyl-1-{1-[5-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1H-pyrazol-4-yl}urea

SMILES

CC(CC1)CCN1c1cncnc1-n1ncc(NC(NC(C)(C)C)=O)c1

InChI

InChI=1S/C18H27N7O/c1-13-5-7-24(8-6-13)15-10-19-12-20-16(15)25-11-14(9-21-25)22-17(26)23-18(2,3)4/h9-13H,5-8H2,1-4H3,(H2,22,23,26)

InChI Key

JFMIXPVQGHZUAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27621706

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.970

Distribution Coefficient, logD

2.969

Water Solubility, LogSw

-3.31

Polar Surface Area

70.681

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

4.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.56

T479-0944 in Drug Discovery

Included in Screening Libraries

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with T479-0944 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T479-0944?
Check Price and Availability of T479-0944, 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 T479-0944 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T479-0944
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T479-0944
  • 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 T479-0944 available by request