Y042-5790 Screening compound: N-[2-(2-furyl)ethyl]-3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]propanamide

Y042-5790 Screening compound: N-[2-(2-furyl)ethyl]-3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]propanamide
Y042-5790 Screening compound: N-[2-(2-furyl)ethyl]-3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-5790
N-[2-(2-furyl)ethyl]-3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]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

Y042-5790

Molecular Formula

C19H18N4O3 (C19 H18 N4 O3)

Compound Name

N-[2-(2-furyl)ethyl]-3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]propanamide

IUPAC name

N-[2-(furan-2-yl)ethyl]-3-[3-(1H-indol-6-yl)-124-oxadiazol-5-yl]propanamide

SMILES

O=C(CCc1nc(-c2cc([nH]cc3)c3cc2)no1)NCCc1ccco1

InChI

InChI=1S/C19H18N4O3/c24-17(21-10-8-15-2-1-11-25-15)5-6-18-22-19(23-26-18)14-4-3-13-7-9-20-16(13)12-14/h1-4,7,9,11-12,20H,5-6,8,10H2,(H,21,24)

InChI Key

VDHPHXFAJBFMIG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22585541

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.133

Distribution Coefficient, logD

3.133

Water Solubility, LogSw

-3.39

Polar Surface Area

73.153

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

0.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.05

Y042-5790 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y042-5790 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-5790?
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What is the minimum amount of Y042-5790 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-5790
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-5790
  • 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 Y042-5790 available by request