L531-0652 Screening compound: 4-[3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-pyridyl]-N~1~-[2-(2-methylpiperidino)ethyl]benzamide

L531-0652 Screening compound: 4-[3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-pyridyl]-N~1~-[2-(2-methylpiperidino)ethyl]benzamide
L531-0652 Screening compound: 4-[3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-pyridyl]-N~1~-[2-(2-methylpiperidino)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L531-0652
4-[3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-pyridyl]-N~1~-[2-(2-methylpiperidino)ethyl]benzamide

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

L531-0652

Molecular Formula

C26H32N4O (C26 H32 N4 O)

Compound Name

4-[3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-pyridyl]-N~1~-[2-(2-methylpiperidino)ethyl]benzamide

IUPAC name

4-[3-(25-dimethyl-1H-pyrrol-1-yl)pyridin-2-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]benzamide

SMILES

CC1N(CCNC(c(cc2)ccc2-c2ncccc2-n2c(C)ccc2C)=O)CCCC1

InChI

InChI=1S/C26H32N4O/c1-19-7-4-5-17-29(19)18-16-28-26(31)23-13-11-22(12-14-23)25-24(8-6-15-27-25)30-20(2)9-10-21(30)3/h6,8-15,19H,4-5,7,16-18H2,1-3H3,(H,28,31)/t19-/m0/s1

InChI Key

JRHOIFUAWAWXAF-IBGZPJMESA-N

MDL Number (MFCD)

MFCD15129988

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.57

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.127

Distribution Coefficient, logD

1.894

Water Solubility, LogSw

-3.20

Polar Surface Area

40.061

Acid Dissociation Constant (pKa)

12.57

Base Dissociation Constant (pKb)

8.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.46

L531-0652 in Drug Discovery

Included in Screening Libraries

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

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 L531-0652 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L531-0652?
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What is the minimum amount of L531-0652 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L531-0652
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L531-0652
  • 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 L531-0652 available by request