E984-0221 Screening compound: N-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl}-2-{2-methyl-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl}propanamide

E984-0221 Screening compound: N-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl}-2-{2-methyl-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl}propanamide
E984-0221 Screening compound: N-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl}-2-{2-methyl-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E984-0221
N-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl}-2-{2-methyl-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl}propanamide

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

E984-0221

Molecular Formula

C23H31ClN6O2 (C23 H31 ClN6 O2)

Compound Name

N-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl}-2-{2-methyl-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl}propanamide

IUPAC name

N-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl}-2-{2-methyl-5-oxo-4H5H6H7H-pyrazolo[15-a]pyrimidin-4-yl}propanamide

SMILES

CC(C(NCCN(CC1)CCN1c1c(C)ccc(Cl)c1)=O)N(c1cc(C)nn1CC1)C1=O

InChI

InChI=1S/C23H31ClN6O2/c1-16-4-5-19(24)15-20(16)28-12-10-27(11-13-28)9-7-25-23(32)18(3)30-21-14-17(2)26-29(21)8-6-22(30)31/h4-5,14-15,18H,6-13H2,1-3H3,(H,25,32)/t18-/m0/s1

InChI Key

LGKOAFMQKXLAOL-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14935785

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.99

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.902

Distribution Coefficient, logD

1.547

Water Solubility, LogSw

-2.88

Polar Surface Area

58.908

Acid Dissociation Constant (pKa)

13.59

Base Dissociation Constant (pKb)

7.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.20

E984-0221 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with E984-0221 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E984-0221?
Check Price and Availability of E984-0221, 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 E984-0221 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E984-0221
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E984-0221
  • 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 E984-0221 available by request