Y043-8396 Screening compound: N-[4-methoxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-4-(1H-pyrrol-1-yl)butanamide

Y043-8396 Screening compound: N-[4-methoxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-4-(1H-pyrrol-1-yl)butanamide
Y043-8396 Screening compound: N-[4-methoxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-4-(1H-pyrrol-1-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-8396
N-[4-methoxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-4-(1H-pyrrol-1-yl)butanamide

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

Y043-8396

Molecular Formula

C18H20N4O3 (C18 H20 N4 O3)

Compound Name

N-[4-methoxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-4-(1H-pyrrol-1-yl)butanamide

IUPAC name

N-[4-methoxy-3-(5-methyl-134-oxadiazol-2-yl)phenyl]-4-(1H-pyrrol-1-yl)butanamide

SMILES

Cc1nnc(-c(cc(cc2)NC(CCCn3cccc3)=O)c2OC)o1

InChI

InChI=1S/C18H20N4O3/c1-13-20-21-18(25-13)15-12-14(7-8-16(15)24-2)19-17(23)6-5-11-22-9-3-4-10-22/h3-4,7-10,12H,5-6,11H2,1-2H3,(H,19,23)

InChI Key

PEAXBIHUBLLBOY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32262752

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.618

Distribution Coefficient, logD

1.618

Water Solubility, LogSw

-2.23

Polar Surface Area

64.551

Acid Dissociation Constant (pKa)

11.82

Base Dissociation Constant (pKb)

2.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.78

Y043-8396 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y043-8396 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-8396?
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What is the minimum amount of Y043-8396 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-8396
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-8396
  • 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 Y043-8396 available by request