Y500-1368 Screening compound: (4-chloro-1-methyl-1H-pyrazol-5-yl)[hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl]methanone

Y500-1368 Screening compound: (4-chloro-1-methyl-1H-pyrazol-5-yl)[hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl]methanone
Y500-1368 Screening compound: (4-chloro-1-methyl-1H-pyrazol-5-yl)[hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y500-1368
(4-chloro-1-methyl-1H-pyrazol-5-yl)[hexahydropyrrolo[1,2-a]pyrazin-2(1H)-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

Y500-1368

Molecular Formula

C12H17ClN4O (C12 H17 ClN4 O)

Compound Name

(4-chloro-1-methyl-1H-pyrazol-5-yl)[hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl]methanone

IUPAC name

4-chloro-1-methyl-5-{octahydropyrrolo[12-a]pyrazine-2-carbonyl}-1H-pyrazole

SMILES

Cn1ncc(Cl)c1C(N1CC(CCC2)N2CC1)=O

InChI

InChI=1S/C12H17ClN4O/c1-15-11(10(13)7-14-15)12(18)17-6-5-16-4-2-3-9(16)8-17/h7,9H,2-6,8H2,1H3/t9-/m0/s1

InChI Key

IXWHZPUVYZZZKF-VIFPVBQESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

268.75

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.775

Distribution Coefficient, logD

0.698

Water Solubility, LogSw

-1.90

Polar Surface Area

34.036

Acid Dissociation Constant (pKa)

27.67

Base Dissociation Constant (pKb)

6.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.67

Y500-1368 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with Y500-1368 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y500-1368?
Check Price and Availability of Y500-1368, 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 Y500-1368 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y500-1368
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y500-1368
  • 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 Y500-1368 available by request