E687-0601 Screening compound: 2-ethyl-1-{4-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl}butan-1-one

E687-0601 Screening compound: 2-ethyl-1-{4-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl}butan-1-one
E687-0601 Screening compound: 2-ethyl-1-{4-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl}butan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E687-0601
2-ethyl-1-{4-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl}butan-1-one

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

E687-0601

Molecular Formula

C21H28N4O3 (C21 H28 N4 O3)

Compound Name

2-ethyl-1-{4-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl}butan-1-one

IUPAC name

2-ethyl-1-{4-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl}butan-1-one

SMILES

CCC(CC)C(N(CC1)CCN1C(c1cc(-c2cc(OC)ccc2)n[nH]1)=O)=O

InChI

InChI=1S/C21H28N4O3/c1-4-15(5-2)20(26)24-9-11-25(12-10-24)21(27)19-14-18(22-23-19)16-7-6-8-17(13-16)28-3/h6-8,13-15H,4-5,9-12H2,1-3H3,(H,22,23)

InChI Key

JKZMJPMQDWRKOL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14910306

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.359

Distribution Coefficient, logD

3.358

Water Solubility, LogSw

-3.41

Polar Surface Area

63.648

Acid Dissociation Constant (pKa)

10.31

Base Dissociation Constant (pKb)

1.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

E687-0601 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with E687-0601 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E687-0601?
Check Price and Availability of E687-0601, 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 E687-0601 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E687-0601
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E687-0601
  • 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 E687-0601 available by request