D301-0072 Screening compound: 5-(4-benzylpiperidin-1-yl)-2-{5-[(4-methylphenoxy)methyl]furan-2-yl}-1,3-oxazole-4-carbonitrile

D301-0072 Screening compound: 5-(4-benzylpiperidin-1-yl)-2-{5-[(4-methylphenoxy)methyl]furan-2-yl}-1,3-oxazole-4-carbonitrile
D301-0072 Screening compound: 5-(4-benzylpiperidin-1-yl)-2-{5-[(4-methylphenoxy)methyl]furan-2-yl}-1,3-oxazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D301-0072
5-(4-benzylpiperidin-1-yl)-2-{5-[(4-methylphenoxy)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

D301-0072

Molecular Formula

C28H27N3O3 (C28 H27 N3 O3)

Compound Name

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

IUPAC name

5-(4-benzylpiperidin-1-yl)-2-{5-[(4-methylphenoxy)methyl]furan-2-yl}-13-oxazole-4-carbonitrile

SMILES

Cc(cc1)ccc1OCc1ccc(-c2nc(C#N)c(N3CCC(Cc4ccccc4)CC3)o2)o1

InChI

InChI=1S/C28H27N3O3/c1-20-7-9-23(10-8-20)32-19-24-11-12-26(33-24)27-30-25(18-29)28(34-27)31-15-13-22(14-16-31)17-21-5-3-2-4-6-21/h2-12,22H,13-17,19H2,1H3

InChI Key

NPBFGWPICBCPQS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14817369

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.684

Distribution Coefficient, logD

6.684

Water Solubility, LogSw

-5.96

Polar Surface Area

54.552

Acid Dissociation Constant (pKa)

25.06

Base Dissociation Constant (pKb)

-4.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

D301-0072 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 D301-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D301-0072?
Check Price and Availability of D301-0072, 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 D301-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D301-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D301-0072
  • 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 D301-0072 available by request