D301-0156 Screening compound: 5-(butylamino)-2-{5-[(4-methoxyphenoxy)methyl]furan-2-yl}-1,3-oxazole-4-carbonitrile

D301-0156 Screening compound: 5-(butylamino)-2-{5-[(4-methoxyphenoxy)methyl]furan-2-yl}-1,3-oxazole-4-carbonitrile
D301-0156 Screening compound: 5-(butylamino)-2-{5-[(4-methoxyphenoxy)methyl]furan-2-yl}-1,3-oxazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D301-0156
5-(butylamino)-2-{5-[(4-methoxyphenoxy)methyl]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

D301-0156

Molecular Formula

C20H21N3O4 (C20 H21 N3 O4)

Compound Name

5-(butylamino)-2-{5-[(4-methoxyphenoxy)methyl]furan-2-yl}-1,3-oxazole-4-carbonitrile

IUPAC name

5-(butylamino)-2-{5-[(4-methoxyphenoxy)methyl]furan-2-yl}-13-oxazole-4-carbonitrile

SMILES

CCCCNc1c(C#N)nc(-c2ccc(COc(cc3)ccc3OC)o2)o1

InChI

InChI=1S/C20H21N3O4/c1-3-4-11-22-19-17(12-21)23-20(27-19)18-10-9-16(26-18)13-25-15-7-5-14(24-2)6-8-15/h5-10,22H,3-4,11,13H2,1-2H3

InChI Key

KZQOTLMUUHJSND-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14817381

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.4

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

4.324

Distribution Coefficient, logD

4.324

Water Solubility, LogSw

-4.25

Polar Surface Area

69.003

Acid Dissociation Constant (pKa)

17.14

Base Dissociation Constant (pKb)

-4.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

D301-0156 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

KRAS-Targeted Library (16000 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D301-0156 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D301-0156?
Check Price and Availability of D301-0156, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D301-0156 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D301-0156
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D301-0156
  • 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 D301-0156 available by request