5677-0200 Screening compound: 2-[(4-chlorophenoxy)methyl]-5-{[(4-methoxyphenyl)methyl]amino}-1,3-oxazole-4-carbonitrile

5677-0200 Screening compound: 2-[(4-chlorophenoxy)methyl]-5-{[(4-methoxyphenyl)methyl]amino}-1,3-oxazole-4-carbonitrile
5677-0200 Screening compound: 2-[(4-chlorophenoxy)methyl]-5-{[(4-methoxyphenyl)methyl]amino}-1,3-oxazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 5677-0200
2-[(4-chlorophenoxy)methyl]-5-{[(4-methoxyphenyl)methyl]amino}-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

5677-0200

Molecular Formula

C19H16ClN3O3 (C19 H16 ClN3 O3)

Compound Name

2-[(4-chlorophenoxy)methyl]-5-{[(4-methoxyphenyl)methyl]amino}-1,3-oxazole-4-carbonitrile

IUPAC name

2-[(4-chlorophenoxy)methyl]-5-{[(4-methoxyphenyl)methyl]amino}-13-oxazole-4-carbonitrile

SMILES

COc1ccc(CNc2c(C#N)nc(COc(cc3)ccc3Cl)o2)cc1

InChI

InChI=1S/C19H16ClN3O3/c1-24-15-6-2-13(3-7-15)11-22-19-17(10-21)23-18(26-19)12-25-16-8-4-14(20)5-9-16/h2-9,22H,11-12H2,1H3

InChI Key

DDMCGWQYUPQLDX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03523543

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.81

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

3.843

Distribution Coefficient, logD

3.843

Water Solubility, LogSw

-4.40

Polar Surface Area

60.986

Acid Dissociation Constant (pKa)

13.48

Base Dissociation Constant (pKb)

-3.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

5677-0200 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 5677-0200 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5677-0200?
Check Price and Availability of 5677-0200, 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 5677-0200 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5677-0200
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5677-0200
  • 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 5677-0200 available by request