E989-1019 Screening compound: N-cyclopropyl-4-[2-(1-methyl-1H-indol-3-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxobutanamide

E989-1019 Screening compound: N-cyclopropyl-4-[2-(1-methyl-1H-indol-3-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxobutanamide
E989-1019 Screening compound: N-cyclopropyl-4-[2-(1-methyl-1H-indol-3-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxobutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E989-1019
N-cyclopropyl-4-[2-(1-methyl-1H-indol-3-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

E989-1019

Molecular Formula

C22H25N5O2 (C22 H25 N5 O2)

Compound Name

N-cyclopropyl-4-[2-(1-methyl-1H-indol-3-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxobutanamide

IUPAC name

N-cyclopropyl-4-[2-(1-methyl-1H-indol-3-yl)-4H5H6H7H-pyrazolo[15-a]pyrimidin-4-yl]-4-oxobutanamide

SMILES

Cn1c(cccc2)c2c(-c2nn(CCCN3C(CCC(NC4CC4)=O)=O)c3c2)c1

InChI

InChI=1S/C22H25N5O2/c1-25-14-17(16-5-2-3-6-19(16)25)18-13-21-26(11-4-12-27(21)24-18)22(29)10-9-20(28)23-15-7-8-15/h2-3,5-6,13-15H,4,7-12H2,1H3,(H,23,28)

InChI Key

NCDGYWBIDDGXRF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14936443

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.141

Distribution Coefficient, logD

2.141

Water Solubility, LogSw

-2.94

Polar Surface Area

54.513

Acid Dissociation Constant (pKa)

13.58

Base Dissociation Constant (pKb)

2.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.91

E989-1019 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

GPCR Targeted Library (31838 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E989-1019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E989-1019?
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What is the minimum amount of E989-1019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E989-1019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E989-1019
  • 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 E989-1019 available by request