L628-0548 Screening compound: 2-{1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl}-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide

L628-0548 Screening compound: 2-{1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl}-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide
L628-0548 Screening compound: 2-{1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl}-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L628-0548
2-{1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl}-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide

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

L628-0548

Molecular Formula

C24H32N4O5S (C24 H32 N4 O5 S)

Compound Name

2-{1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl}-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide

IUPAC name

2-{1-[(35-dimethyl-12-oxazol-4-yl)sulfonyl]piperidin-4-yl}-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide

SMILES

CC(C(CC1)CCN1S(c1c(C)onc1C)(=O)=O)C(NCCc1c[nH]c(cc2)c1cc2OC)=O

InChI

InChI=1S/C24H32N4O5S/c1-15(18-8-11-28(12-9-18)34(30,31)23-16(2)27-33-17(23)3)24(29)25-10-7-19-14-26-22-6-5-20(32-4)13-21(19)22/h5-6,13-15,18,26H,7-12H2,1-4H3,(H,25,29)/t15-/m0/s1

InChI Key

PINAIRNDGMHPIN-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD27466257

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.61

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.305

Distribution Coefficient, logD

2.305

Water Solubility, LogSw

-2.91

Polar Surface Area

95.657

Acid Dissociation Constant (pKa)

13.87

Base Dissociation Constant (pKb)

3.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

L628-0548 in Drug Discovery

Included in Screening Libraries

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

Indole Derivatives (10091 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L628-0548 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L628-0548?
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What is the minimum amount of L628-0548 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L628-0548
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L628-0548
  • 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 L628-0548 available by request