D561-0886 Screening compound: 2-{5-[(2,5-dimethylphenoxy)methyl]furan-2-yl}-5-(4-methylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile

D561-0886 Screening compound: 2-{5-[(2,5-dimethylphenoxy)methyl]furan-2-yl}-5-(4-methylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile
D561-0886 Screening compound: 2-{5-[(2,5-dimethylphenoxy)methyl]furan-2-yl}-5-(4-methylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D561-0886
2-{5-[(2,5-dimethylphenoxy)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

D561-0886

Molecular Formula

C23H25N3O3 (C23 H25 N3 O3)

Compound Name

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

IUPAC name

2-{5-[(25-dimethylphenoxy)methyl]furan-2-yl}-5-(4-methylpiperidin-1-yl)-13-oxazole-4-carbonitrile

SMILES

CC(CC1)CCN1c1c(C#N)nc(-c2ccc(COc3c(C)ccc(C)c3)o2)o1

InChI

InChI=1S/C23H25N3O3/c1-15-8-10-26(11-9-15)23-19(13-24)25-22(29-23)20-7-6-18(28-20)14-27-21-12-16(2)4-5-17(21)3/h4-7,12,15H,8-11,14H2,1-3H3

InChI Key

GJFJWNXYDKAGDS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14833578

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.47

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

5.543

Distribution Coefficient, logD

5.543

Water Solubility, LogSw

-5.46

Polar Surface Area

54.910

Acid Dissociation Constant (pKa)

25.92

Base Dissociation Constant (pKb)

-4.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

D561-0886 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases

References: we are preparing a list of scientific research reports with D561-0886 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D561-0886?
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What is the minimum amount of D561-0886 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D561-0886
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D561-0886
  • 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 D561-0886 available by request