Y501-4942 Screening compound: 1-{[1-(difluoromethyl)-3-methyl-1H-pyrazol-4-yl]sulfonyl}-4-(2,4-dimethoxybenzyl)piperazine

Y501-4942 Screening compound: 1-{[1-(difluoromethyl)-3-methyl-1H-pyrazol-4-yl]sulfonyl}-4-(2,4-dimethoxybenzyl)piperazine
Y501-4942 Screening compound: 1-{[1-(difluoromethyl)-3-methyl-1H-pyrazol-4-yl]sulfonyl}-4-(2,4-dimethoxybenzyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y501-4942
1-{[1-(difluoromethyl)-3-methyl-1H-pyrazol-4-yl]sulfonyl}-4-(2,4-dimethoxybenzyl)piperazine

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

Y501-4942

Molecular Formula

C18H24F2N4O4S (C18 H24 F2 N4 O4 S)

Compound Name

1-{[1-(difluoromethyl)-3-methyl-1H-pyrazol-4-yl]sulfonyl}-4-(2,4-dimethoxybenzyl)piperazine

IUPAC name

1-{[1-(difluoromethyl)-3-methyl-1H-pyrazol-4-yl]sulfonyl}-4-[(24-dimethoxyphenyl)methyl]piperazine

SMILES

Cc1nn(C(F)F)cc1S(N1CCN(Cc(ccc(OC)c2)c2OC)CC1)(=O)=O

InChI

InChI=1S/C18H24F2N4O4S/c1-13-17(12-24(21-13)18(19)20)29(25,26)23-8-6-22(7-9-23)11-14-4-5-15(27-2)10-16(14)28-3/h4-5,10,12,18H,6-9,11H2,1-3H3

InChI Key

YALFJCIBZKGEJR-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.284

Distribution Coefficient, logD

1.280

Water Solubility, LogSw

-2.38

Polar Surface Area

64.896

Acid Dissociation Constant (pKa)

28.31

Base Dissociation Constant (pKb)

5.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

Y501-4942 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y501-4942 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-4942?
Check Price and Availability of Y501-4942, 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 Y501-4942 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-4942
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-4942
  • 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 Y501-4942 available by request