E989-0257 Screening compound: 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-{2-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl}butane-1,4-dione

E989-0257 Screening compound: 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-{2-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl}butane-1,4-dione
E989-0257 Screening compound: 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-{2-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl}butane-1,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E989-0257
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-{2-methyl-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

E989-0257

Molecular Formula

C23H31N5O2 (C23 H31 N5 O2)

Compound Name

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

IUPAC name

1-[4-(23-dimethylphenyl)piperazin-1-yl]-4-{2-methyl-4H5H6H7H-pyrazolo[15-a]pyrimidin-4-yl}butane-14-dione

SMILES

Cc1nn(CCCN2C(CCC(N(CC3)CCN3c3c(C)c(C)ccc3)=O)=O)c2c1

InChI

InChI=1S/C23H31N5O2/c1-17-6-4-7-20(19(17)3)25-12-14-26(15-13-25)22(29)8-9-23(30)27-10-5-11-28-21(27)16-18(2)24-28/h4,6-7,16H,5,8-15H2,1-3H3

InChI Key

MULYXVIDZGLGLX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14936342

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.495

Distribution Coefficient, logD

2.495

Water Solubility, LogSw

-2.44

Polar Surface Area

46.856

Acid Dissociation Constant (pKa)

22.33

Base Dissociation Constant (pKb)

5.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.20

E989-0257 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with E989-0257 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E989-0257?
Check Price and Availability of E989-0257, 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 E989-0257 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E989-0257
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E989-0257
  • 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 E989-0257 available by request