E984-0461 Screening compound: N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-2-{2-methyl-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl}butanamide

E984-0461 Screening compound: N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-2-{2-methyl-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl}butanamide
E984-0461 Screening compound: N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-2-{2-methyl-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E984-0461
N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-2-{2-methyl-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl}butanamide

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

E984-0461

Molecular Formula

C23H31ClN6O2 (C23 H31 ClN6 O2)

Compound Name

N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-2-{2-methyl-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl}butanamide

IUPAC name

N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-2-{2-methyl-5-oxo-4H5H6H7H-pyrazolo[15-a]pyrimidin-4-yl}butanamide

SMILES

CCC(C(NCCN(CC1)CCN1c1cccc(Cl)c1)=O)N(c1cc(C)nn1CC1)C1=O

InChI

InChI=1S/C23H31ClN6O2/c1-3-20(30-21-15-17(2)26-29(21)9-7-22(30)31)23(32)25-8-10-27-11-13-28(14-12-27)19-6-4-5-18(24)16-19/h4-6,15-16,20H,3,7-14H2,1-2H3,(H,25,32)/t20-/m0/s1

InChI Key

XWWHORZRYJAQQF-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD27095280

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

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.960

Distribution Coefficient, logD

1.866

Water Solubility, LogSw

-2.87

Polar Surface Area

58.793

Acid Dissociation Constant (pKa)

13.39

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.20

References: we are preparing a list of scientific research reports with E984-0461 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E984-0461?
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What is the minimum amount of E984-0461 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E984-0461
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E984-0461
  • 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 E984-0461 available by request