Y501-3514 Screening compound: N-[3-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)propyl]-2-[3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl]butanamide

Y501-3514 Screening compound: N-[3-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)propyl]-2-[3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl]butanamide
Y501-3514 Screening compound: N-[3-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)propyl]-2-[3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y501-3514
N-[3-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)propyl]-2-[3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl]butanamide

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

Y501-3514

Molecular Formula

C19H25F3N6O3 (C19 H25 F3 N6 O3)

Compound Name

N-[3-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)propyl]-2-[3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl]butanamide

IUPAC name

N-[3-(35-dimethyl-4-nitro-1H-pyrazol-1-yl)propyl]-2-[3-(trifluoromethyl)-1H4H5H6H-cyclopenta[c]pyrazol-1-yl]butanamide

SMILES

CCC(C(NCCCn1nc(C)c([N+]([O-])=O)c1C)=O)n1nc(C(F)(F)F)c2c1CCC2

InChI

InChI=1S/C19H25F3N6O3/c1-4-14(27-15-8-5-7-13(15)17(25-27)19(20,21)22)18(29)23-9-6-10-26-12(3)16(28(30)31)11(2)24-26/h14H,4-10H2,1-3H3,(H,23,29)/t14-/m0/s1

InChI Key

GBPWNVQEEKNMCU-AWEZNQCLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.231

Distribution Coefficient, logD

2.231

Water Solubility, LogSw

-2.39

Polar Surface Area

86.496

Acid Dissociation Constant (pKa)

14.39

Base Dissociation Constant (pKb)

-0.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.16

References: we are preparing a list of scientific research reports with Y501-3514 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-3514?
Check Price and Availability of Y501-3514, 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 Y501-3514 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-3514
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-3514
  • 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 Y501-3514 available by request