E989-0705 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-(1-methyl-1H-pyrrol-2-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxobutanamide

E989-0705 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-(1-methyl-1H-pyrrol-2-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxobutanamide
E989-0705 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-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 E989-0705
N-[2-(3,4-dimethoxyphenyl)ethyl]-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

E989-0705

Molecular Formula

C25H31N5O4 (C25 H31 N5 O4)

Compound Name

N-[2-(3,4-dimethoxyphenyl)ethyl]-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-(34-dimethoxyphenyl)ethyl]-4-[2-(1-methyl-1H-pyrrol-2-yl)-4H5H6H7H-pyrazolo[15-a]pyrimidin-4-yl]-4-oxobutanamide

SMILES

Cn1c(-c2nn(CCCN3C(CCC(NCCc(cc4)cc(OC)c4OC)=O)=O)c3c2)ccc1

InChI

InChI=1S/C25H31N5O4/c1-28-13-4-6-20(28)19-17-24-29(14-5-15-30(24)27-19)25(32)10-9-23(31)26-12-11-18-7-8-21(33-2)22(16-18)34-3/h4,6-8,13,16-17H,5,9-12,14-15H2,1-3H3,(H,26,31)

InChI Key

CEHWMRBZDSJYMQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14936379

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.012

Distribution Coefficient, logD

2.012

Water Solubility, LogSw

-2.66

Polar Surface Area

69.416

Acid Dissociation Constant (pKa)

14.31

Base Dissociation Constant (pKb)

0.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

E989-0705 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 E989-0705 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E989-0705?
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What is the minimum amount of E989-0705 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E989-0705
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E989-0705
  • 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 E989-0705 available by request