D561-0883 Screening compound: 2-{5-[(4-bromophenoxy)methyl]furan-2-yl}-5-(4-methylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile

D561-0883 Screening compound: 2-{5-[(4-bromophenoxy)methyl]furan-2-yl}-5-(4-methylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile
D561-0883 Screening compound: 2-{5-[(4-bromophenoxy)methyl]furan-2-yl}-5-(4-methylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D561-0883
2-{5-[(4-bromophenoxy)methyl]furan-2-yl}-5-(4-methylpiperidin-1-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

D561-0883

Molecular Formula

C21H20BrN3O3 (C21 H20 BrN3 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(CC1)CCN1c1c(C#N)nc(-c2ccc(COc(cc3)ccc3Br)o2)o1

InChI

InChI=1S/C21H20BrN3O3/c1-14-8-10-25(11-9-14)21-18(12-23)24-20(28-21)19-7-6-17(27-19)13-26-16-4-2-15(22)3-5-16/h2-7,14H,8-11,13H2,1H3

InChI Key

OWMIPINQEDPROX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18181373

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.31

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.454

Distribution Coefficient, logD

5.454

Water Solubility, LogSw

-5.57

Polar Surface Area

54.824

Acid Dissociation Constant (pKa)

25.92

Base Dissociation Constant (pKb)

-4.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D561-0883 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

Human Transcription Factors Annotated Library (5098 compounds)

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D561-0883 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D561-0883?
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What is the minimum amount of D561-0883 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D561-0883
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D561-0883
  • 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 D561-0883 available by request