Y505-3654 Screening compound: 1-(2,2,2-TRIFLUOROETHYL)-1H-PYRAZOLE-3-CARBALDEHYDE 3-[4-(1-METHYL-1H-PYRAZOL-4-YL)-6-(TRIFLUOROMETHYL)-2-PYRIMIDINYL]HYDRAZONE

Y505-3654 Screening compound: 1-(2,2,2-TRIFLUOROETHYL)-1H-PYRAZOLE-3-CARBALDEHYDE 3-[4-(1-METHYL-1H-PYRAZOL-4-YL)-6-(TRIFLUOROMETHYL)-2-PYRIMIDINYL]HYDRAZONE
Y505-3654 Screening compound: 1-(2,2,2-TRIFLUOROETHYL)-1H-PYRAZOLE-3-CARBALDEHYDE 3-[4-(1-METHYL-1H-PYRAZOL-4-YL)-6-(TRIFLUOROMETHYL)-2-PYRIMIDINYL]HYDRAZONE alternative view

Chemical Structure Depiction of ChemDiv screening compound Y505-3654
1-(2,2,2-TRIFLUOROETHYL)-1H-PYRAZOLE-3-CARBALDEHYDE 3-[4-(1-METHYL-1H-PYRAZOL-4-YL)-6-(TRIFLUOROMETHYL)-2-PYRIMIDINYL]HYDRAZONE

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

Y505-3654

Molecular Formula

C15H12F6N8 (C15 H12 F6 N8)

Compound Name

1-(2,2,2-TRIFLUOROETHYL)-1H-PYRAZOLE-3-CARBALDEHYDE 3-[4-(1-METHYL-1H-PYRAZOL-4-YL)-6-(TRIFLUOROMETHYL)-2-PYRIMIDINYL]HYDRAZONE

IUPAC name

n/a

SMILES

Cn1ncc(-c2cc(C(F)(F)F)nc(N/N=C/c3nn(CC(F)(F)F)cc3)n2)c1

InChI

InChI=1S/C15H12F6N8/c1-28-7-9(5-23-28)11-4-12(15(19,20)21)25-13(24-11)26-22-6-10-2-3-29(27-10)8-14(16,17)18/h2-7H,8H2,1H3,(H,24,25,26)

InChI Key

NFWBVNJPDMKVKQ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.762

Distribution Coefficient, logD

2.762

Water Solubility, LogSw

-2.87

Polar Surface Area

70.774

Acid Dissociation Constant (pKa)

12.69

Base Dissociation Constant (pKb)

4.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

References: we are preparing a list of scientific research reports with Y505-3654 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y505-3654?
Check Price and Availability of Y505-3654, 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 Y505-3654 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y505-3654
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y505-3654
  • 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 Y505-3654 available by request