E989-1072 Screening compound: 4-[2-(1-methyl-1H-indol-3-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]-N-[2-(morpholin-4-yl)ethyl]-4-oxobutanamide

E989-1072 Screening compound: 4-[2-(1-methyl-1H-indol-3-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]-N-[2-(morpholin-4-yl)ethyl]-4-oxobutanamide
E989-1072 Screening compound: 4-[2-(1-methyl-1H-indol-3-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]-N-[2-(morpholin-4-yl)ethyl]-4-oxobutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E989-1072
4-[2-(1-methyl-1H-indol-3-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]-N-[2-(morpholin-4-yl)ethyl]-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

E989-1072

Molecular Formula

C25H32N6O3 (C25 H32 N6 O3)

Compound Name

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

IUPAC name

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

SMILES

Cn1c(cccc2)c2c(-c2nn(CCCN3C(CCC(NCCN4CCOCC4)=O)=O)c3c2)c1

InChI

InChI=1S/C25H32N6O3/c1-28-18-20(19-5-2-3-6-22(19)28)21-17-24-30(10-4-11-31(24)27-21)25(33)8-7-23(32)26-9-12-29-13-15-34-16-14-29/h2-3,5-6,17-18H,4,7-16H2,1H3,(H,26,32)

InChI Key

FYCTXRLXGWDBFI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14936450

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.039

Distribution Coefficient, logD

0.963

Water Solubility, LogSw

-2.24

Polar Surface Area

66.189

Acid Dissociation Constant (pKa)

13.73

Base Dissociation Constant (pKb)

6.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

E989-1072 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

GPCR Targeted Library (31838 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E989-1072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E989-1072?
Check Price and Availability of E989-1072, 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 E989-1072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E989-1072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E989-1072
  • 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 E989-1072 available by request