E989-1044 Screening compound: N-[(1-ethylpyrrolidin-2-yl)methyl]-4-[2-(1-methyl-1H-indol-3-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxobutanamide

E989-1044 Screening compound: N-[(1-ethylpyrrolidin-2-yl)methyl]-4-[2-(1-methyl-1H-indol-3-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxobutanamide
E989-1044 Screening compound: N-[(1-ethylpyrrolidin-2-yl)methyl]-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 E989-1044
N-[(1-ethylpyrrolidin-2-yl)methyl]-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

E989-1044

Molecular Formula

C26H34N6O2 (C26 H34 N6 O2)

Compound Name

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

IUPAC name

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

SMILES

CCN1C(CNC(CCC(N2c3cc(-c4cn(C)c5c4cccc5)nn3CCC2)=O)=O)CCC1

InChI

InChI=1S/C26H34N6O2/c1-3-30-13-6-8-19(30)17-27-24(33)11-12-26(34)31-14-7-15-32-25(31)16-22(28-32)21-18-29(2)23-10-5-4-9-20(21)23/h4-5,9-10,16,18-19H,3,6-8,11-15,17H2,1-2H3,(H,27,33)/t19-/m1/s1

InChI Key

VMJBWLAMWJDJGE-LJQANCHMSA-N

MDL Number (MFCD)

MFCD14936446

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.6

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

2.025

Distribution Coefficient, logD

0.841

Water Solubility, LogSw

-2.76

Polar Surface Area

58.363

Acid Dissociation Constant (pKa)

13.47

Base Dissociation Constant (pKb)

8.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

E989-1044 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E989-1044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E989-1044?
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What is the minimum amount of E989-1044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E989-1044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E989-1044
  • 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 E989-1044 available by request