E989-0756 Screening compound: N-(2-methoxyethyl)-4-[2-(1-methyl-1H-pyrrol-2-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxobutanamide

E989-0756 Screening compound: N-(2-methoxyethyl)-4-[2-(1-methyl-1H-pyrrol-2-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxobutanamide
E989-0756 Screening compound: N-(2-methoxyethyl)-4-[2-(1-methyl-1H-pyrrol-2-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxobutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E989-0756
N-(2-methoxyethyl)-4-[2-(1-methyl-1H-pyrrol-2-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxobutanamide

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

E989-0756

Molecular Formula

C18H25N5O3 (C18 H25 N5 O3)

Compound Name

N-(2-methoxyethyl)-4-[2-(1-methyl-1H-pyrrol-2-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxobutanamide

IUPAC name

N-(2-methoxyethyl)-4-[2-(1-methyl-1H-pyrrol-2-yl)-4H5H6H7H-pyrazolo[15-a]pyrimidin-4-yl]-4-oxobutanamide

SMILES

Cn1c(-c2nn(CCCN3C(CCC(NCCOC)=O)=O)c3c2)ccc1

InChI

InChI=1S/C18H25N5O3/c1-21-9-3-5-15(21)14-13-17-22(10-4-11-23(17)20-14)18(25)7-6-16(24)19-8-12-26-2/h3,5,9,13H,4,6-8,10-12H2,1-2H3,(H,19,24)

InChI Key

PFGRJTHIFPFRBM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14936393

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.054

Distribution Coefficient, logD

1.054

Water Solubility, LogSw

-1.91

Polar Surface Area

62.769

Acid Dissociation Constant (pKa)

14.39

Base Dissociation Constant (pKb)

0.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

E989-0756 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E989-0756 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E989-0756?
Check Price and Availability of E989-0756, 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 E989-0756 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E989-0756
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E989-0756
  • 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 E989-0756 available by request