Y504-6216 Screening compound: 5-bromo-N~2~-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-N~2~-(4-fluorobenzyl)-2-thiophenesulfonamide

Y504-6216 Screening compound: 5-bromo-N~2~-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-N~2~-(4-fluorobenzyl)-2-thiophenesulfonamide
Y504-6216 Screening compound: 5-bromo-N~2~-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-N~2~-(4-fluorobenzyl)-2-thiophenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y504-6216
5-bromo-N~2~-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-N~2~-(4-fluorobenzyl)-2-thiophenesulfonamide

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

Y504-6216

Molecular Formula

C18H19BrFN3O2S2 (C18 H19 BrFN3 O2 S2)

Compound Name

5-bromo-N~2~-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-N~2~-(4-fluorobenzyl)-2-thiophenesulfonamide

IUPAC name

n/a

SMILES

CCn1nc(C)c(CN(Cc(cc2)ccc2F)S(c(s2)ccc2Br)(=O)=O)c1

InChI

InChI=1S/C18H19BrFN3O2S2/c1-3-22-11-15(13(2)21-22)12-23(10-14-4-6-16(20)7-5-14)27(24,25)18-9-8-17(19)26-18/h4-9,11H,3,10,12H2,1-2H3

InChI Key

VZFYTEZPUVRCDR-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.962

Distribution Coefficient, logD

3.962

Water Solubility, LogSw

-3.88

Polar Surface Area

47.216

Acid Dissociation Constant (pKa)

21.79

Base Dissociation Constant (pKb)

0.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

References: we are preparing a list of scientific research reports with Y504-6216 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y504-6216?
Check Price and Availability of Y504-6216, 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 Y504-6216 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y504-6216
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y504-6216
  • 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 Y504-6216 available by request