Y502-8030 Screening compound: ethyl 4-{[3-chloro-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}tetrahydro-1(2H)-pyrazinecarboxylate

Y502-8030 Screening compound: ethyl 4-{[3-chloro-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}tetrahydro-1(2H)-pyrazinecarboxylate
Y502-8030 Screening compound: ethyl 4-{[3-chloro-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}tetrahydro-1(2H)-pyrazinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y502-8030
ethyl 4-{[3-chloro-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}tetrahydro-1(2H)-pyrazinecarboxylate

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

Y502-8030

Molecular Formula

C19H17ClF3N5O3S (C19 H17 ClF3 N5 O3 S)

Compound Name

ethyl 4-{[3-chloro-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}tetrahydro-1(2H)-pyrazinecarboxylate

IUPAC name

ethyl 4-[3-chloro-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine-2-carbonyl]piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1C(c1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1Cl)=O)=O

InChI

InChI=1S/C19H17ClF3N5O3S/c1-2-31-18(30)27-7-5-26(6-8-27)17(29)15-14(20)16-24-11(12-4-3-9-32-12)10-13(19(21,22)23)28(16)25-15/h3-4,9-10H,2,5-8H2,1H3

InChI Key

SOJFMDZNRBMYEX-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.89

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.917

Distribution Coefficient, logD

3.917

Water Solubility, LogSw

-4.54

Polar Surface Area

60.161

Acid Dissociation Constant (pKa)

28.79

Base Dissociation Constant (pKb)

-0.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.84

References: we are preparing a list of scientific research reports with Y502-8030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y502-8030?
Check Price and Availability of Y502-8030, 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 Y502-8030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y502-8030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y502-8030
  • 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 Y502-8030 available by request