Y505-3894 Screening compound: 4-CHLORO-N'~5~-[(5-FLUORO-2-THIENYL)METHYLENE]-1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-5-CARBOHYDRAZIDE

Y505-3894 Screening compound: 4-CHLORO-N'~5~-[(5-FLUORO-2-THIENYL)METHYLENE]-1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-5-CARBOHYDRAZIDE
Y505-3894 Screening compound: 4-CHLORO-N'~5~-[(5-FLUORO-2-THIENYL)METHYLENE]-1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-5-CARBOHYDRAZIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound Y505-3894
4-CHLORO-N'~5~-[(5-FLUORO-2-THIENYL)METHYLENE]-1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-5-CARBOHYDRAZIDE

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

Y505-3894

Molecular Formula

C11H7ClF4N4OS (C11 H7 ClF4 N4 OS)

Compound Name

4-CHLORO-N'~5~-[(5-FLUORO-2-THIENYL)METHYLENE]-1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-5-CARBOHYDRAZIDE

IUPAC name

n/a

SMILES

Cn1nc(C(F)(F)F)c(Cl)c1C(N/N=C/c1ccc(F)s1)=O

InChI

InChI=1S/C11H7ClF4N4OS/c1-20-8(7(12)9(19-20)11(14,15)16)10(21)18-17-4-5-2-3-6(13)22-5/h2-4H,1H3,(H,18,21)

InChI Key

XKLPZIVGHKNPJU-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.72

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.266

Distribution Coefficient, logD

3.227

Water Solubility, LogSw

-4.00

Polar Surface Area

50.635

Acid Dissociation Constant (pKa)

8.43

Base Dissociation Constant (pKb)

0.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with Y505-3894 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y505-3894?
Check Price and Availability of Y505-3894, 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 Y505-3894 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y505-3894
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y505-3894
  • 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 Y505-3894 available by request