Y501-4887 Screening compound: N-[(4-bromo-1-ethyl-1H-pyrazol-5-yl)methyl]-1-(difluoromethyl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide

Y501-4887 Screening compound: N-[(4-bromo-1-ethyl-1H-pyrazol-5-yl)methyl]-1-(difluoromethyl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
Y501-4887 Screening compound: N-[(4-bromo-1-ethyl-1H-pyrazol-5-yl)methyl]-1-(difluoromethyl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y501-4887
N-[(4-bromo-1-ethyl-1H-pyrazol-5-yl)methyl]-1-(difluoromethyl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide

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

Y501-4887

Molecular Formula

C13H18BrF2N5O2S (C13 H18 BrF2 N5 O2 S)

Compound Name

N-[(4-bromo-1-ethyl-1H-pyrazol-5-yl)methyl]-1-(difluoromethyl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide

IUPAC name

N-[(4-bromo-1-ethyl-1H-pyrazol-5-yl)methyl]-1-(difluoromethyl)-N35-trimethyl-1H-pyrazole-4-sulfonamide

SMILES

CCn1ncc(Br)c1CN(C)S(c1c(C)n(C(F)F)nc1C)(=O)=O

InChI

InChI=1S/C13H18BrF2N5O2S/c1-5-20-11(10(14)6-17-20)7-19(4)24(22,23)12-8(2)18-21(9(12)3)13(15)16/h6,13H,5,7H2,1-4H3

InChI Key

SIMUXSCDVQRHCD-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.29

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.945

Distribution Coefficient, logD

0.945

Water Solubility, LogSw

-1.52

Polar Surface Area

60.177

Acid Dissociation Constant (pKa)

26.88

Base Dissociation Constant (pKb)

-1.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.85

References: we are preparing a list of scientific research reports with Y501-4887 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-4887?
Check Price and Availability of Y501-4887, 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 Y501-4887 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-4887
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-4887
  • 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 Y501-4887 available by request