Y501-5487 Screening compound: [4-(4-ethoxybenzyl)piperazino][1-methyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazol-5-yl]methanone

Y501-5487 Screening compound: [4-(4-ethoxybenzyl)piperazino][1-methyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazol-5-yl]methanone
Y501-5487 Screening compound: [4-(4-ethoxybenzyl)piperazino][1-methyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazol-5-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y501-5487
[4-(4-ethoxybenzyl)piperazino][1-methyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazol-5-yl]methanone

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

Y501-5487

Molecular Formula

C21H23F3N4O2S (C21 H23 F3 N4 O2 S)

Compound Name

[4-(4-ethoxybenzyl)piperazino][1-methyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazol-5-yl]methanone

IUPAC name

1-[(4-ethoxyphenyl)methyl]-4-[1-methyl-3-(trifluoromethyl)-1H-thieno[23-c]pyrazole-5-carbonyl]piperazine

SMILES

CCOc1ccc(CN(CC2)CCN2C(c2cc(c(C(F)(F)F)nn3C)c3s2)=O)cc1

InChI

InChI=1S/C21H23F3N4O2S/c1-3-30-15-6-4-14(5-7-15)13-27-8-10-28(11-9-27)19(29)17-12-16-18(21(22,23)24)25-26(2)20(16)31-17/h4-7,12H,3,8-11,13H2,1-2H3

InChI Key

YEOFQAJGJBLRTM-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.364

Distribution Coefficient, logD

3.356

Water Solubility, LogSw

-3.50

Polar Surface Area

42.940

Acid Dissociation Constant (pKa)

28.69

Base Dissociation Constant (pKb)

5.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.86

References: we are preparing a list of scientific research reports with Y501-5487 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-5487?
Check Price and Availability of Y501-5487, 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 Y501-5487 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-5487
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-5487
  • 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 Y501-5487 available by request