D561-0970 Screening compound: 2-{5-[(2,5-dimethylphenoxy)methyl]furan-2-yl}-5-(1,2,3,4-tetrahydroisoquinolin-2-yl)-1,3-oxazole-4-carbonitrile

D561-0970 Screening compound: 2-{5-[(2,5-dimethylphenoxy)methyl]furan-2-yl}-5-(1,2,3,4-tetrahydroisoquinolin-2-yl)-1,3-oxazole-4-carbonitrile
D561-0970 Screening compound: 2-{5-[(2,5-dimethylphenoxy)methyl]furan-2-yl}-5-(1,2,3,4-tetrahydroisoquinolin-2-yl)-1,3-oxazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D561-0970
2-{5-[(2,5-dimethylphenoxy)methyl]furan-2-yl}-5-(1,2,3,4-tetrahydroisoquinolin-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

D561-0970

Molecular Formula

C26H23N3O3 (C26 H23 N3 O3)

Compound Name

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

IUPAC name

2-{5-[(25-dimethylphenoxy)methyl]furan-2-yl}-5-(1234-tetrahydroisoquinolin-2-yl)-13-oxazole-4-carbonitrile

SMILES

Cc1cc(OCc2ccc(-c3nc(C#N)c(N(CC4)Cc5c4cccc5)o3)o2)c(C)cc1

InChI

InChI=1S/C26H23N3O3/c1-17-7-8-18(2)24(13-17)30-16-21-9-10-23(31-21)25-28-22(14-27)26(32-25)29-12-11-19-5-3-4-6-20(19)15-29/h3-10,13H,11-12,15-16H2,1-2H3

InChI Key

NAQXBSPILZBVCN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14833591

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.49

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

6.017

Distribution Coefficient, logD

6.017

Water Solubility, LogSw

-5.56

Polar Surface Area

54.572

Acid Dissociation Constant (pKa)

23.67

Base Dissociation Constant (pKb)

-5.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

D561-0970 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 D561-0970 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D561-0970?
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What is the minimum amount of D561-0970 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D561-0970
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D561-0970
  • 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 D561-0970 available by request