E989-0940 Screening compound: 1-[2-(1-methyl-1H-indol-3-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-[4-(pyridin-2-yl)piperazin-1-yl]butane-1,4-dione

E989-0940 Screening compound: 1-[2-(1-methyl-1H-indol-3-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-[4-(pyridin-2-yl)piperazin-1-yl]butane-1,4-dione
E989-0940 Screening compound: 1-[2-(1-methyl-1H-indol-3-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-[4-(pyridin-2-yl)piperazin-1-yl]butane-1,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E989-0940
1-[2-(1-methyl-1H-indol-3-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-[4-(pyridin-2-yl)piperazin-1-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

E989-0940

Molecular Formula

C28H31N7O2 (C28 H31 N7 O2)

Compound Name

1-[2-(1-methyl-1H-indol-3-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-[4-(pyridin-2-yl)piperazin-1-yl]butane-1,4-dione

IUPAC name

1-[2-(1-methyl-1H-indol-3-yl)-4H5H6H7H-pyrazolo[15-a]pyrimidin-4-yl]-4-[4-(pyridin-2-yl)piperazin-1-yl]butane-14-dione

SMILES

Cn1c(cccc2)c2c(-c2nn(CCCN3C(CCC(N(CC4)CCN4c4ncccc4)=O)=O)c3c2)c1

InChI

InChI=1S/C28H31N7O2/c1-31-20-22(21-7-2-3-8-24(21)31)23-19-26-34(13-6-14-35(26)30-23)28(37)11-10-27(36)33-17-15-32(16-18-33)25-9-4-5-12-29-25/h2-5,7-9,12,19-20H,6,10-11,13-18H2,1H3

InChI Key

DOZVJEJBMIKPBU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14936428

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.021

Distribution Coefficient, logD

3.012

Water Solubility, LogSw

-3.09

Polar Surface Area

58.149

Acid Dissociation Constant (pKa)

22.33

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

E989-0940 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS Targets (44014 compounds)

MCL1 Targeted Library (12200 compounds)

SmartTM Library (51161 compounds)

Akt-Targeted Library (14764 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with E989-0940 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E989-0940?
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What is the minimum amount of E989-0940 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E989-0940
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E989-0940
  • 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 E989-0940 available by request