D301-0122 Screening compound: 5-(4-benzylpiperazin-1-yl)-2-{5-[(4-chlorophenoxy)methyl]furan-2-yl}-1,3-oxazole-4-carbonitrile

D301-0122 Screening compound: 5-(4-benzylpiperazin-1-yl)-2-{5-[(4-chlorophenoxy)methyl]furan-2-yl}-1,3-oxazole-4-carbonitrile
D301-0122 Screening compound: 5-(4-benzylpiperazin-1-yl)-2-{5-[(4-chlorophenoxy)methyl]furan-2-yl}-1,3-oxazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D301-0122
5-(4-benzylpiperazin-1-yl)-2-{5-[(4-chlorophenoxy)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

D301-0122

Molecular Formula

C26H23ClN4O3 (C26 H23 ClN4 O3)

Compound Name

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

IUPAC name

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

SMILES

N#Cc1c(N2CCN(Cc3ccccc3)CC2)oc(-c2ccc(COc(cc3)ccc3Cl)o2)n1

InChI

InChI=1S/C26H23ClN4O3/c27-20-6-8-21(9-7-20)32-18-22-10-11-24(33-22)25-29-23(16-28)26(34-25)31-14-12-30(13-15-31)17-19-4-2-1-3-5-19/h1-11H,12-15,17-18H2

InChI Key

UWHADWXTYZEUSI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14817376

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.95

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.201

Distribution Coefficient, logD

5.142

Water Solubility, LogSw

-5.85

Polar Surface Area

58.364

Acid Dissociation Constant (pKa)

26.94

Base Dissociation Constant (pKb)

6.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

D301-0122 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
Targets:
  • Kinases
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with D301-0122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D301-0122?
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What is the minimum amount of D301-0122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D301-0122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D301-0122
  • 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 D301-0122 available by request