E989-0930 Screening compound: 1-[2-(1-methyl-1H-indol-3-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-(4-phenylpiperazin-1-yl)butane-1,4-dione

E989-0930 Screening compound: 1-[2-(1-methyl-1H-indol-3-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-(4-phenylpiperazin-1-yl)butane-1,4-dione
E989-0930 Screening compound: 1-[2-(1-methyl-1H-indol-3-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-(4-phenylpiperazin-1-yl)butane-1,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E989-0930
1-[2-(1-methyl-1H-indol-3-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-(4-phenylpiperazin-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

E989-0930

Molecular Formula

C29H32N6O2 (C29 H32 N6 O2)

Compound Name

1-[2-(1-methyl-1H-indol-3-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-(4-phenylpiperazin-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-phenylpiperazin-1-yl)butane-14-dione

SMILES

Cn1c(cccc2)c2c(-c2nn(CCCN3C(CCC(N(CC4)CCN4c4ccccc4)=O)=O)c3c2)c1

InChI

InChI=1S/C29H32N6O2/c1-31-21-24(23-10-5-6-11-26(23)31)25-20-27-34(14-7-15-35(27)30-25)29(37)13-12-28(36)33-18-16-32(17-19-33)22-8-3-2-4-9-22/h2-6,8-11,20-21H,7,12-19H2,1H3

InChI Key

CJYLBEBQTYJWSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14936425

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.61

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.353

Distribution Coefficient, logD

3.353

Water Solubility, LogSw

-3.55

Polar Surface Area

49.638

Acid Dissociation Constant (pKa)

22.33

Base Dissociation Constant (pKb)

6.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.50

E989-0930 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with E989-0930 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E989-0930?
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What is the minimum amount of E989-0930 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E989-0930
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E989-0930
  • 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 E989-0930 available by request