F644-0131 Screening compound: 3-{3,5-dimethyl-1-[6-(pyrrolidin-1-yl)pyrimidin-4-yl]-1H-pyrazol-4-yl}-N-[4-(trifluoromethoxy)phenyl]propanamide

F644-0131 Screening compound: 3-{3,5-dimethyl-1-[6-(pyrrolidin-1-yl)pyrimidin-4-yl]-1H-pyrazol-4-yl}-N-[4-(trifluoromethoxy)phenyl]propanamide
F644-0131 Screening compound: 3-{3,5-dimethyl-1-[6-(pyrrolidin-1-yl)pyrimidin-4-yl]-1H-pyrazol-4-yl}-N-[4-(trifluoromethoxy)phenyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F644-0131
3-{3,5-dimethyl-1-[6-(pyrrolidin-1-yl)pyrimidin-4-yl]-1H-pyrazol-4-yl}-N-[4-(trifluoromethoxy)phenyl]propanamide

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

F644-0131

Molecular Formula

C23H25F3N6O2 (C23 H25 F3 N6 O2)

Compound Name

3-{3,5-dimethyl-1-[6-(pyrrolidin-1-yl)pyrimidin-4-yl]-1H-pyrazol-4-yl}-N-[4-(trifluoromethoxy)phenyl]propanamide

IUPAC name

3-{35-dimethyl-1-[6-(pyrrolidin-1-yl)pyrimidin-4-yl]-1H-pyrazol-4-yl}-N-[4-(trifluoromethoxy)phenyl]propanamide

SMILES

Cc1c(CCC(Nc(cc2)ccc2OC(F)(F)F)=O)c(C)nn1-c1ncnc(N2CCCC2)c1

InChI

InChI=1S/C23H25F3N6O2/c1-15-19(9-10-22(33)29-17-5-7-18(8-6-17)34-23(24,25)26)16(2)32(30-15)21-13-20(27-14-28-21)31-11-3-4-12-31/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,29,33)

InChI Key

ZEBUPKYFORIWCQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27181901

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.043

Distribution Coefficient, logD

5.009

Water Solubility, LogSw

-4.72

Polar Surface Area

66.026

Acid Dissociation Constant (pKa)

12.06

Base Dissociation Constant (pKb)

6.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

F644-0131 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with F644-0131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F644-0131?
Check Price and Availability of F644-0131, 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 F644-0131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F644-0131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F644-0131
  • 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 F644-0131 available by request