E989-0275 Screening compound: 1-{2-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl}-4-[4-(pyridin-2-yl)piperazin-1-yl]butane-1,4-dione

E989-0275 Screening compound: 1-{2-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl}-4-[4-(pyridin-2-yl)piperazin-1-yl]butane-1,4-dione
E989-0275 Screening compound: 1-{2-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl}-4-[4-(pyridin-2-yl)piperazin-1-yl]butane-1,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E989-0275
1-{2-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl}-4-[4-(pyridin-2-yl)piperazin-1-yl]butane-1,4-dione

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

E989-0275

Molecular Formula

C20H26N6O2 (C20 H26 N6 O2)

Compound Name

1-{2-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl}-4-[4-(pyridin-2-yl)piperazin-1-yl]butane-1,4-dione

IUPAC name

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

SMILES

Cc1nn(CCCN2C(CCC(N(CC3)CCN3c3ncccc3)=O)=O)c2c1

InChI

InChI=1S/C20H26N6O2/c1-16-15-18-25(9-4-10-26(18)22-16)20(28)7-6-19(27)24-13-11-23(12-14-24)17-5-2-3-8-21-17/h2-3,5,8,15H,4,6-7,9-14H2,1H3

InChI Key

BDEPIDBLOZLDSY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14936351

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.039

Distribution Coefficient, logD

1.030

Water Solubility, LogSw

-1.63

Polar Surface Area

55.668

Acid Dissociation Constant (pKa)

22.33

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

E989-0275 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with E989-0275 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E989-0275?
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What is the minimum amount of E989-0275 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E989-0275
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E989-0275
  • 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 E989-0275 available by request