Y500-2202 Screening compound: 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-1-hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl-1-ethanone

Y500-2202 Screening compound: 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-1-hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl-1-ethanone
Y500-2202 Screening compound: 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-1-hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y500-2202
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-1-hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl-1-ethanone

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

Y500-2202

Molecular Formula

C16H20ClF3N4O (C16 H20 ClF3 N4 O)

Compound Name

2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-1-hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl-1-ethanone

IUPAC name

2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-1-{octahydropyrrolo[12-a]pyrazin-2-yl}ethan-1-one

SMILES

O=C(Cn1nc(C(F)(F)F)c(Cl)c1C1CC1)N1CC(CCC2)N2CC1

InChI

InChI=1S/C16H20ClF3N4O/c17-13-14(10-3-4-10)24(21-15(13)16(18,19)20)9-12(25)23-7-6-22-5-1-2-11(22)8-23/h10-11H,1-9H2/t11-/m0/s1

InChI Key

RNKTUUDXBRIIJB-NSHDSACASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.81

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.608

Distribution Coefficient, logD

2.530

Water Solubility, LogSw

-3.29

Polar Surface Area

34.021

Acid Dissociation Constant (pKa)

23.84

Base Dissociation Constant (pKb)

6.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

75.00

Y500-2202 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system

References: we are preparing a list of scientific research reports with Y500-2202 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y500-2202?
Check Price and Availability of Y500-2202, 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 Y500-2202 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y500-2202
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y500-2202
  • 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 Y500-2202 available by request