D561-0550 Screening compound: 5-{[(2-chlorophenyl)methyl]amino}-2-{5-[(2,5-dimethylphenoxy)methyl]furan-2-yl}-1,3-oxazole-4-carbonitrile

D561-0550 Screening compound: 5-{[(2-chlorophenyl)methyl]amino}-2-{5-[(2,5-dimethylphenoxy)methyl]furan-2-yl}-1,3-oxazole-4-carbonitrile
D561-0550 Screening compound: 5-{[(2-chlorophenyl)methyl]amino}-2-{5-[(2,5-dimethylphenoxy)methyl]furan-2-yl}-1,3-oxazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D561-0550
5-{[(2-chlorophenyl)methyl]amino}-2-{5-[(2,5-dimethylphenoxy)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

D561-0550

Molecular Formula

C24H20ClN3O3 (C24 H20 ClN3 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(OCc2ccc(-c3nc(C#N)c(NCc(cccc4)c4Cl)o3)o2)c(C)cc1

InChI

InChI=1S/C24H20ClN3O3/c1-15-7-8-16(2)22(11-15)29-14-18-9-10-21(30-18)24-28-20(12-26)23(31-24)27-13-17-5-3-4-6-19(17)25/h3-11,27H,13-14H2,1-2H3

InChI Key

XKYMMEMDVANRIZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14833535

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.89

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.003

Distribution Coefficient, logD

6.003

Water Solubility, LogSw

-6.13

Polar Surface Area

61.433

Acid Dissociation Constant (pKa)

15.29

Base Dissociation Constant (pKb)

-5.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

D561-0550 in Drug Discovery

Included in Screening Libraries

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

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 D561-0550 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D561-0550?
Check Price and Availability of D561-0550, 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 D561-0550 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D561-0550
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D561-0550
  • 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 D561-0550 available by request