E989-0874 Screening compound: N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-[2-(1-methyl-1H-pyrrol-2-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxobutanamide

E989-0874 Screening compound: N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-[2-(1-methyl-1H-pyrrol-2-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxobutanamide
E989-0874 Screening compound: N-[(4-ethoxy-3-methoxyphenyl)methyl]-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 E989-0874
N-[(4-ethoxy-3-methoxyphenyl)methyl]-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

E989-0874

Molecular Formula

C25H31N5O4 (C25 H31 N5 O4)

Compound Name

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

IUPAC name

N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-[2-(1-methyl-1H-pyrrol-2-yl)-4H5H6H7H-pyrazolo[15-a]pyrimidin-4-yl]-4-oxobutanamide

SMILES

CCOc(ccc(CNC(CCC(N1c2cc(-c3cccn3C)nn2CCC1)=O)=O)c1)c1OC

InChI

InChI=1S/C25H31N5O4/c1-4-34-21-9-8-18(15-22(21)33-3)17-26-23(31)10-11-25(32)29-13-6-14-30-24(29)16-19(27-30)20-7-5-12-28(20)2/h5,7-9,12,15-16H,4,6,10-11,13-14,17H2,1-3H3,(H,26,31)

InChI Key

MRFGKCIIMKMACE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14936412

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

2.681

Distribution Coefficient, logD

2.681

Water Solubility, LogSw

-2.86

Polar Surface Area

69.155

Acid Dissociation Constant (pKa)

14.45

Base Dissociation Constant (pKb)

0.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

E989-0874 in Drug Discovery

Included in Screening Libraries

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

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with E989-0874 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E989-0874?
Check Price and Availability of E989-0874, 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 E989-0874 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E989-0874
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E989-0874
  • 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 E989-0874 available by request