E989-0942 Screening compound: 1-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-4-[2-(1-methyl-1H-indol-3-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]butane-1,4-dione

E989-0942 Screening compound: 1-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-4-[2-(1-methyl-1H-indol-3-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]butane-1,4-dione
E989-0942 Screening compound: 1-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-4-[2-(1-methyl-1H-indol-3-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]butane-1,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E989-0942
1-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-4-[2-(1-methyl-1H-indol-3-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]butane-1,4-dione

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

E989-0942

Molecular Formula

C26H31N5O4 (C26 H31 N5 O4)

Compound Name

1-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-4-[2-(1-methyl-1H-indol-3-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]butane-1,4-dione

IUPAC name

1-{14-dioxa-8-azaspiro[4.5]decan-8-yl}-4-[2-(1-methyl-1H-indol-3-yl)-4H5H6H7H-pyrazolo[15-a]pyrimidin-4-yl]butane-14-dione

SMILES

Cn1c(cccc2)c2c(-c2nn(CCCN3C(CCC(N(CC4)CCC44OCCO4)=O)=O)c3c2)c1

InChI

InChI=1S/C26H31N5O4/c1-28-18-20(19-5-2-3-6-22(19)28)21-17-23-30(11-4-12-31(23)27-21)25(33)8-7-24(32)29-13-9-26(10-14-29)34-15-16-35-26/h2-3,5-6,17-18H,4,7-16H2,1H3

InChI Key

HJVIVQVMAOPPRD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14936429

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.780

Distribution Coefficient, logD

1.780

Water Solubility, LogSw

-2.38

Polar Surface Area

60.815

Acid Dissociation Constant (pKa)

22.33

Base Dissociation Constant (pKb)

2.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

E989-0942 in Drug Discovery

Included in Screening Libraries

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:
  • 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 E989-0942 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E989-0942?
Check Price and Availability of E989-0942, 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 E989-0942 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E989-0942
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E989-0942
  • 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 E989-0942 available by request