E989-0252 Screening compound: 1-[2-METHYL-6,7-DIHYDROPYRAZOLO[1,5-A]PYRIMIDIN-4(5H)-YL]-4-(4-METHYLPIPERIDINO)-1,4-BUTANEDIONE

E989-0252 Screening compound: 1-[2-METHYL-6,7-DIHYDROPYRAZOLO[1,5-A]PYRIMIDIN-4(5H)-YL]-4-(4-METHYLPIPERIDINO)-1,4-BUTANEDIONE
E989-0252 Screening compound: 1-[2-METHYL-6,7-DIHYDROPYRAZOLO[1,5-A]PYRIMIDIN-4(5H)-YL]-4-(4-METHYLPIPERIDINO)-1,4-BUTANEDIONE alternative view

Chemical Structure Depiction of ChemDiv screening compound E989-0252
1-[2-METHYL-6,7-DIHYDROPYRAZOLO[1,5-A]PYRIMIDIN-4(5H)-YL]-4-(4-METHYLPIPERIDINO)-1,4-BUTANEDIONE

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

E989-0252

Molecular Formula

C17H26N4O2 (C17 H26 N4 O2)

Compound Name

1-[2-METHYL-6,7-DIHYDROPYRAZOLO[1,5-A]PYRIMIDIN-4(5H)-YL]-4-(4-METHYLPIPERIDINO)-1,4-BUTANEDIONE

IUPAC name

1-{2-methyl-4H5H6H7H-pyrazolo[15-a]pyrimidin-4-yl}-4-(4-methylpiperidin-1-yl)butane-14-dione

SMILES

CC(CC1)CCN1C(CCC(N1c2cc(C)nn2CCC1)=O)=O

InChI

InChI=1S/C17H26N4O2/c1-13-6-10-19(11-7-13)16(22)4-5-17(23)20-8-3-9-21-15(20)12-14(2)18-21/h12-13H,3-11H2,1-2H3

InChI Key

KDUCASTXLMYRBM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14936338

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.067

Distribution Coefficient, logD

1.067

Water Solubility, LogSw

-1.33

Polar Surface Area

43.896

Acid Dissociation Constant (pKa)

22.33

Base Dissociation Constant (pKb)

1.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

70.59

E989-0252 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E989-0252 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E989-0252?
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What is the minimum amount of E989-0252 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E989-0252
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E989-0252
  • 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 E989-0252 available by request