D301-0023 Screening compound: 5-{[2-(4-methoxyphenyl)ethyl]amino}-2-[5-(phenoxymethyl)furan-2-yl]-1,3-oxazole-4-carbonitrile

D301-0023 Screening compound: 5-{[2-(4-methoxyphenyl)ethyl]amino}-2-[5-(phenoxymethyl)furan-2-yl]-1,3-oxazole-4-carbonitrile
D301-0023 Screening compound: 5-{[2-(4-methoxyphenyl)ethyl]amino}-2-[5-(phenoxymethyl)furan-2-yl]-1,3-oxazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D301-0023
5-{[2-(4-methoxyphenyl)ethyl]amino}-2-[5-(phenoxymethyl)furan-2-yl]-1,3-oxazole-4-carbonitrile

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

D301-0023

Molecular Formula

C24H21N3O4 (C24 H21 N3 O4)

Compound Name

5-{[2-(4-methoxyphenyl)ethyl]amino}-2-[5-(phenoxymethyl)furan-2-yl]-1,3-oxazole-4-carbonitrile

IUPAC name

5-{[2-(4-methoxyphenyl)ethyl]amino}-2-[5-(phenoxymethyl)furan-2-yl]-13-oxazole-4-carbonitrile

SMILES

COc1ccc(CCNc2c(C#N)nc(-c3ccc(COc4ccccc4)o3)o2)cc1

InChI

InChI=1S/C24H21N3O4/c1-28-18-9-7-17(8-10-18)13-14-26-23-21(15-25)27-24(31-23)22-12-11-20(30-22)16-29-19-5-3-2-4-6-19/h2-12,26H,13-14,16H2,1H3

InChI Key

JBZWFNHJKUPGHR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09982653

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.417

Distribution Coefficient, logD

4.417

Water Solubility, LogSw

-4.35

Polar Surface Area

68.732

Acid Dissociation Constant (pKa)

16.66

Base Dissociation Constant (pKb)

-4.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

D301-0023 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D301-0023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D301-0023?
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What is the minimum amount of D301-0023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D301-0023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D301-0023
  • 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 D301-0023 available by request