6049-0286 Screening compound: 3-cyclopropyl-1-(pyridine-4-carbonyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol

6049-0286 Screening compound: 3-cyclopropyl-1-(pyridine-4-carbonyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
6049-0286 Screening compound: 3-cyclopropyl-1-(pyridine-4-carbonyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 6049-0286
3-cyclopropyl-1-(pyridine-4-carbonyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol

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

6049-0286

Molecular Formula

C13H12F3N3O2 (C13 H12 F3 N3 O2)

Compound Name

3-cyclopropyl-1-(pyridine-4-carbonyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol

IUPAC name

3-cyclopropyl-1-(pyridine-4-carbonyl)-5-(trifluoromethyl)-45-dihydro-1H-pyrazol-5-ol

SMILES

OC(C1)(C(F)(F)F)N(C(c2ccncc2)=O)N=C1C1CC1

InChI

InChI=1S/C13H12F3N3O2/c14-13(15,16)12(21)7-10(8-1-2-8)18-19(12)11(20)9-3-5-17-6-4-9/h3-6,8,21H,1-2,7H2/t12-/m0/s1

InChI Key

RNIMGBUKQKFDSD-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD03466244

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.25

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.593

Distribution Coefficient, logD

1.592

Water Solubility, LogSw

-1.33

Polar Surface Area

53.469

Acid Dissociation Constant (pKa)

11.59

Base Dissociation Constant (pKb)

4.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.20

6049-0286 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Soluble Diversity Library (15920 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 6049-0286 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6049-0286?
Check Price and Availability of 6049-0286, 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 6049-0286 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6049-0286
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6049-0286
  • 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 6049-0286 available by request