6487-0398 Screening compound: 2-[(2-chlorophenoxy)methyl]-5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1,3-oxazole-4-carbonitrile

6487-0398 Screening compound: 2-[(2-chlorophenoxy)methyl]-5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1,3-oxazole-4-carbonitrile
6487-0398 Screening compound: 2-[(2-chlorophenoxy)methyl]-5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1,3-oxazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 6487-0398
2-[(2-chlorophenoxy)methyl]-5-{[2-(3,4-dimethoxyphenyl)ethyl]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

6487-0398

Molecular Formula

C21H20ClN3O4 (C21 H20 ClN3 O4)

Compound Name

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

IUPAC name

2-[(2-chlorophenoxy)methyl]-5-{[2-(34-dimethoxyphenyl)ethyl]amino}-13-oxazole-4-carbonitrile

SMILES

COc(ccc(CCNc1c(C#N)nc(COc(cccc2)c2Cl)o1)c1)c1OC

InChI

InChI=1S/C21H20ClN3O4/c1-26-18-8-7-14(11-19(18)27-2)9-10-24-21-16(12-23)25-20(29-21)13-28-17-6-4-3-5-15(17)22/h3-8,11,24H,9-10,13H2,1-2H3

InChI Key

FBPXJIMGABNPIR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03523466

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.86

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.342

Distribution Coefficient, logD

3.342

Water Solubility, LogSw

-3.71

Polar Surface Area

68.631

Acid Dissociation Constant (pKa)

13.85

Base Dissociation Constant (pKb)

-2.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

6487-0398 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6487-0398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6487-0398?
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What is the minimum amount of 6487-0398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6487-0398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6487-0398
  • 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 6487-0398 available by request