L657-0117 Screening compound: 2-{4-[2-(thiophen-2-yl)pyridine-4-carbonyl]piperazin-1-yl}pyrimidine

L657-0117 Screening compound: 2-{4-[2-(thiophen-2-yl)pyridine-4-carbonyl]piperazin-1-yl}pyrimidine
L657-0117 Screening compound: 2-{4-[2-(thiophen-2-yl)pyridine-4-carbonyl]piperazin-1-yl}pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound L657-0117
2-{4-[2-(thiophen-2-yl)pyridine-4-carbonyl]piperazin-1-yl}pyrimidine

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

L657-0117

Molecular Formula

C18H17N5OS (C18 H17 N5 OS)

Compound Name

2-{4-[2-(thiophen-2-yl)pyridine-4-carbonyl]piperazin-1-yl}pyrimidine

IUPAC name

2-{4-[2-(thiophen-2-yl)pyridine-4-carbonyl]piperazin-1-yl}pyrimidine

SMILES

O=C(c1cc(-c2cccs2)ncc1)N(CC1)CCN1c1ncccn1

InChI

InChI=1S/C18H17N5OS/c24-17(14-4-7-19-15(13-14)16-3-1-12-25-16)22-8-10-23(11-9-22)18-20-5-2-6-21-18/h1-7,12-13H,8-11H2

InChI Key

MYNWKXGFGZCEFB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27467566

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.578

Distribution Coefficient, logD

2.578

Water Solubility, LogSw

-2.78

Polar Surface Area

48.304

Acid Dissociation Constant (pKa)

21.00

Base Dissociation Constant (pKb)

4.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

L657-0117 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L657-0117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L657-0117?
Check Price and Availability of L657-0117, 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 L657-0117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L657-0117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L657-0117
  • 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 L657-0117 available by request