L531-0534 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[3-(2,5-dimethyl-1H-pyrrol-1-yl)pyridin-2-yl]benzamide

L531-0534 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[3-(2,5-dimethyl-1H-pyrrol-1-yl)pyridin-2-yl]benzamide
L531-0534 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[3-(2,5-dimethyl-1H-pyrrol-1-yl)pyridin-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L531-0534
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[3-(2,5-dimethyl-1H-pyrrol-1-yl)pyridin-2-yl]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

L531-0534

Molecular Formula

C26H23N3O3 (C26 H23 N3 O3)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[3-(2,5-dimethyl-1H-pyrrol-1-yl)pyridin-2-yl]benzamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-4-[3-(25-dimethyl-1H-pyrrol-1-yl)pyridin-2-yl]benzamide

SMILES

Cc1ccc(C)n1-c1cccnc1-c(cc1)ccc1C(NCc(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C26H23N3O3/c1-17-5-6-18(2)29(17)22-4-3-13-27-25(22)20-8-10-21(11-9-20)26(30)28-15-19-7-12-23-24(14-19)32-16-31-23/h3-14H,15-16H2,1-2H3,(H,28,30)

InChI Key

XNINELCQQGIMSJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15129969

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.803

Distribution Coefficient, logD

3.800

Water Solubility, LogSw

-3.95

Polar Surface Area

53.902

Acid Dissociation Constant (pKa)

13.29

Base Dissociation Constant (pKb)

5.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

L531-0534 in Drug Discovery

Included in Screening Libraries

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

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with L531-0534 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L531-0534?
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What is the minimum amount of L531-0534 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L531-0534
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L531-0534
  • 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 L531-0534 available by request