8012-2229 Screening compound: 3-tert-butyl-5-(trifluoromethyl)-1H-pyrazole

8012-2229 Screening compound: 3-tert-butyl-5-(trifluoromethyl)-1H-pyrazole
8012-2229 Screening compound: 3-tert-butyl-5-(trifluoromethyl)-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-2229
3-tert-butyl-5-(trifluoromethyl)-1H-pyrazole

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

8012-2229

Molecular Formula

C8H11F3N2 (C8 H11 F3 N2)

Compound Name

3-tert-butyl-5-(trifluoromethyl)-1H-pyrazole

IUPAC name

3-tert-butyl-5-(trifluoromethyl)-1H-pyrazole

SMILES

CC(C)(C)c1n[nH]c(C(F)(F)F)c1

InChI

InChI=1S/C8H11F3N2/c1-7(2,3)5-4-6(13-12-5)8(9,10)11/h4H,1-3H3,(H,12,13)

InChI Key

YIEPWAOKLZRBEL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01050222

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

192.18

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.114

Distribution Coefficient, logD

3.108

Water Solubility, LogSw

-3.03

Polar Surface Area

23.000

Acid Dissociation Constant (pKa)

6.95

Base Dissociation Constant (pKb)

2.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

62.50

8012-2229 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8012-2229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-2229?
Check Price and Availability of 8012-2229, 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 8012-2229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-2229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-2229
  • 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 8012-2229 available by request