4526-0852 Screening compound: 5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide

4526-0852 Screening compound: 5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide
4526-0852 Screening compound: 5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4526-0852
5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide

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

4526-0852

Molecular Formula

C6H8F3N3OS (C6 H8 F3 N3 OS)

Compound Name

5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide

IUPAC name

5-hydroxy-3-methyl-5-(trifluoromethyl)-45-dihydro-1H-pyrazole-1-carbothioamide

SMILES

CC(CC1(C(F)(F)F)O)=NN1C(N)=S

InChI

InChI=1S/C6H8F3N3OS/c1-3-2-5(13,6(7,8)9)12(11-3)4(10)14/h13H,2H2,1H3,(H2,10,14)/t5-/m0/s1

InChI Key

UACDIZUBLQBJEZ-YFKPBYRVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

227.21

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.589

Distribution Coefficient, logD

0.589

Water Solubility, LogSw

-0.95

Polar Surface Area

46.548

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

2.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.67

4526-0852 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4526-0852 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4526-0852?
Check Price and Availability of 4526-0852, 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 4526-0852 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4526-0852
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4526-0852
  • 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 4526-0852 available by request