Y502-4536 Screening compound: N-{3,5-dimethyl-1-[3-(trifluoromethyl)benzyl]-1H-pyrazol-4-yl}-4-nitro-1H-pyrazole-3-carboxamide

Y502-4536 Screening compound: N-{3,5-dimethyl-1-[3-(trifluoromethyl)benzyl]-1H-pyrazol-4-yl}-4-nitro-1H-pyrazole-3-carboxamide
Y502-4536 Screening compound: N-{3,5-dimethyl-1-[3-(trifluoromethyl)benzyl]-1H-pyrazol-4-yl}-4-nitro-1H-pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y502-4536
N-{3,5-dimethyl-1-[3-(trifluoromethyl)benzyl]-1H-pyrazol-4-yl}-4-nitro-1H-pyrazole-3-carboxamide

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

Y502-4536

Molecular Formula

C17H15F3N6O3 (C17 H15 F3 N6 O3)

Compound Name

N-{3,5-dimethyl-1-[3-(trifluoromethyl)benzyl]-1H-pyrazol-4-yl}-4-nitro-1H-pyrazole-3-carboxamide

IUPAC name

N-(35-dimethyl-1-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrazol-4-yl)-4-nitro-1H-pyrazole-3-carboxamide

SMILES

Cc(n(Cc1cccc(C(F)(F)F)c1)nc1C)c1NC(c1n[nH]cc1[N+]([O-])=O)=O

InChI

InChI=1S/C17H15F3N6O3/c1-9-14(22-16(27)15-13(26(28)29)7-21-23-15)10(2)25(24-9)8-11-4-3-5-12(6-11)17(18,19)20/h3-7H,8H2,1-2H3,(H,21,23)(H,22,27)

InChI Key

SHKKNLCVNBMKNU-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.34

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.933

Distribution Coefficient, logD

1.803

Water Solubility, LogSw

-2.69

Polar Surface Area

93.758

Acid Dissociation Constant (pKa)

7.86

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.53

References: we are preparing a list of scientific research reports with Y502-4536 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y502-4536?
Check Price and Availability of Y502-4536, 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 Y502-4536 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y502-4536
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y502-4536
  • 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 Y502-4536 available by request