3209-1423 Screening compound: N-(1-methoxypropan-2-yl)-5-phenyl-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

3209-1423 Screening compound: N-(1-methoxypropan-2-yl)-5-phenyl-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
3209-1423 Screening compound: N-(1-methoxypropan-2-yl)-5-phenyl-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3209-1423
N-(1-methoxypropan-2-yl)-5-phenyl-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-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

3209-1423

Molecular Formula

C18H21F3N4O2 (C18 H21 F3 N4 O2)

Compound Name

N-(1-methoxypropan-2-yl)-5-phenyl-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

IUPAC name

(5R7S)-N-(1-methoxypropan-2-yl)-5-phenyl-7-(trifluoromethyl)-4H5H6H7H-pyrazolo[15-a]pyrimidine-3-carboxamide

SMILES

CC(COC)NC(c1c(N[C@@H](C[C@@H]2C(F)(F)F)c3ccccc3)n2nc1)=O

InChI

InChI=1S/C18H21F3N4O2/c1-11(10-27-2)23-17(26)13-9-22-25-15(18(19,20)21)8-14(24-16(13)25)12-6-4-3-5-7-12/h3-7,9,11,14-15,24H,8,10H2,1-2H3,(H,23,26)/t11?,14-,15-/m1/s1

InChI Key

XYGLSBRKGPDEGP-PJYWTSEFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.964

Distribution Coefficient, logD

2.964

Water Solubility, LogSw

-3.35

Polar Surface Area

58.064

Acid Dissociation Constant (pKa)

14.24

Base Dissociation Constant (pKb)

-1.38

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

44.40

3209-1423 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Epigenetics Focused Set (26518 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • Mimetics
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 3209-1423 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3209-1423?
Check Price and Availability of 3209-1423, 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 3209-1423 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3209-1423
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3209-1423
  • 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 3209-1423 available by request