E687-0865 Screening compound: 1-(pyridine-3-carbonyl)-4-[3-(thiophen-2-yl)-1H-pyrazole-5-carbonyl]piperazine

E687-0865 Screening compound: 1-(pyridine-3-carbonyl)-4-[3-(thiophen-2-yl)-1H-pyrazole-5-carbonyl]piperazine
E687-0865 Screening compound: 1-(pyridine-3-carbonyl)-4-[3-(thiophen-2-yl)-1H-pyrazole-5-carbonyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E687-0865
1-(pyridine-3-carbonyl)-4-[3-(thiophen-2-yl)-1H-pyrazole-5-carbonyl]piperazine

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

E687-0865

Molecular Formula

C18H17N5O2S (C18 H17 N5 O2 S)

Compound Name

1-(pyridine-3-carbonyl)-4-[3-(thiophen-2-yl)-1H-pyrazole-5-carbonyl]piperazine

IUPAC name

1-(pyridine-3-carbonyl)-4-[3-(thiophen-2-yl)-1H-pyrazole-5-carbonyl]piperazine

SMILES

O=C(c1cc(-c2cccs2)n[nH]1)N(CC1)CCN1C(c1cnccc1)=O

InChI

InChI=1S/C18H17N5O2S/c24-17(13-3-1-5-19-12-13)22-6-8-23(9-7-22)18(25)15-11-14(20-21-15)16-4-2-10-26-16/h1-5,10-12H,6-9H2,(H,20,21)

InChI Key

XMMZBNAUXBCPQV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14910374

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.239

Distribution Coefficient, logD

1.239

Water Solubility, LogSw

-1.82

Polar Surface Area

66.369

Acid Dissociation Constant (pKa)

8.62

Base Dissociation Constant (pKb)

3.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

E687-0865 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E687-0865 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E687-0865?
Check Price and Availability of E687-0865, 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 E687-0865 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E687-0865
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E687-0865
  • 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 E687-0865 available by request