Y502-5314 Screening compound: 4-({2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-1-ethyl-N-propyl-1H-pyrazole-3-carboxamide

Y502-5314 Screening compound: 4-({2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-1-ethyl-N-propyl-1H-pyrazole-3-carboxamide
Y502-5314 Screening compound: 4-({2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-1-ethyl-N-propyl-1H-pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y502-5314
4-({2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-1-ethyl-N-propyl-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

Y502-5314

Molecular Formula

C18H22BrF3N6O2 (C18 H22 BrF3 N6 O2)

Compound Name

4-({2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-1-ethyl-N-propyl-1H-pyrazole-3-carboxamide

IUPAC name

4-{2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamido}-1-ethyl-N-propyl-1H-pyrazole-3-carboxamide

SMILES

CCCNC(c1nn(CC)cc1NC(Cn1nc(C(F)(F)F)c(Br)c1C1CC1)=O)=O

InChI

InChI=1S/C18H22BrF3N6O2/c1-3-7-23-17(30)14-11(8-27(4-2)25-14)24-12(29)9-28-15(10-5-6-10)13(19)16(26-28)18(20,21)22/h8,10H,3-7,9H2,1-2H3,(H,23,30)(H,24,29)

InChI Key

ZYTLQHQWJBHZGV-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.544

Distribution Coefficient, logD

2.367

Water Solubility, LogSw

-2.68

Polar Surface Area

76.021

Acid Dissociation Constant (pKa)

7.70

Base Dissociation Constant (pKb)

-2.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.56

References: we are preparing a list of scientific research reports with Y502-5314 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y502-5314?
Check Price and Availability of Y502-5314, 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 Y502-5314 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y502-5314
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y502-5314
  • 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 Y502-5314 available by request