L629-1078 Screening compound: 2-{1-[(5-chlorothiophen-2-yl)sulfonyl]piperidin-4-yl}-1-[4-(pyridin-2-yl)piperazin-1-yl]propan-1-one

L629-1078 Screening compound: 2-{1-[(5-chlorothiophen-2-yl)sulfonyl]piperidin-4-yl}-1-[4-(pyridin-2-yl)piperazin-1-yl]propan-1-one
L629-1078 Screening compound: 2-{1-[(5-chlorothiophen-2-yl)sulfonyl]piperidin-4-yl}-1-[4-(pyridin-2-yl)piperazin-1-yl]propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L629-1078
2-{1-[(5-chlorothiophen-2-yl)sulfonyl]piperidin-4-yl}-1-[4-(pyridin-2-yl)piperazin-1-yl]propan-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

L629-1078

Molecular Formula

C21H27ClN4O3S2 (C21 H27 ClN4 O3 S2)

Compound Name

2-{1-[(5-chlorothiophen-2-yl)sulfonyl]piperidin-4-yl}-1-[4-(pyridin-2-yl)piperazin-1-yl]propan-1-one

IUPAC name

2-{1-[(5-chlorothiophen-2-yl)sulfonyl]piperidin-4-yl}-1-[4-(pyridin-2-yl)piperazin-1-yl]propan-1-one

SMILES

CC(C(CC1)CCN1S(c(s1)ccc1Cl)(=O)=O)C(N(CC1)CCN1c1ncccc1)=O

InChI

InChI=1S/C21H27ClN4O3S2/c1-16(21(27)25-14-12-24(13-15-25)19-4-2-3-9-23-19)17-7-10-26(11-8-17)31(28,29)20-6-5-18(22)30-20/h2-6,9,16-17H,7-8,10-15H2,1H3/t16-/m0/s1

InChI Key

ZWYBBEDVSOUSSM-INIZCTEOSA-N

MDL Number (MFCD)

MFCD27466580

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.06

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.567

Distribution Coefficient, logD

3.558

Water Solubility, LogSw

-3.74

Polar Surface Area

61.388

Acid Dissociation Constant (pKa)

23.05

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.40

L629-1078 in Drug Discovery

Included in Screening Libraries

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with L629-1078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L629-1078?
Check Price and Availability of L629-1078, 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 L629-1078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L629-1078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L629-1078
  • 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 L629-1078 available by request