T479-0041 Screening compound: N-{1-[5-(pyrrolidin-1-yl)pyrimidin-4-yl]-1H-pyrazol-4-yl}-3-(trifluoromethyl)benzamide

T479-0041 Screening compound: N-{1-[5-(pyrrolidin-1-yl)pyrimidin-4-yl]-1H-pyrazol-4-yl}-3-(trifluoromethyl)benzamide
T479-0041 Screening compound: N-{1-[5-(pyrrolidin-1-yl)pyrimidin-4-yl]-1H-pyrazol-4-yl}-3-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T479-0041
N-{1-[5-(pyrrolidin-1-yl)pyrimidin-4-yl]-1H-pyrazol-4-yl}-3-(trifluoromethyl)benzamide

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

T479-0041

Molecular Formula

C19H17F3N6O (C19 H17 F3 N6 O)

Compound Name

N-{1-[5-(pyrrolidin-1-yl)pyrimidin-4-yl]-1H-pyrazol-4-yl}-3-(trifluoromethyl)benzamide

IUPAC name

N-{1-[5-(pyrrolidin-1-yl)pyrimidin-4-yl]-1H-pyrazol-4-yl}-3-(trifluoromethyl)benzamide

SMILES

O=C(c1cccc(C(F)(F)F)c1)Nc1cn(-c2ncncc2N2CCCC2)nc1

InChI

InChI=1S/C19H17F3N6O/c20-19(21,22)14-5-3-4-13(8-14)18(29)26-15-9-25-28(11-15)17-16(10-23-12-24-17)27-6-1-2-7-27/h3-5,8-12H,1-2,6-7H2,(H,26,29)

InChI Key

BBUOHYLZJVZDMU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27621574

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.049

Distribution Coefficient, logD

3.046

Water Solubility, LogSw

-3.30

Polar Surface Area

61.418

Acid Dissociation Constant (pKa)

9.96

Base Dissociation Constant (pKb)

4.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

T479-0041 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with T479-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T479-0041?
Check Price and Availability of T479-0041, 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 T479-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T479-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T479-0041
  • 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 T479-0041 available by request