6487-0577 Screening compound: 2-[(2-methylphenoxy)methyl]-5-[(2-phenylethyl)amino]-1,3-oxazole-4-carbonitrile

6487-0577 Screening compound: 2-[(2-methylphenoxy)methyl]-5-[(2-phenylethyl)amino]-1,3-oxazole-4-carbonitrile
6487-0577 Screening compound: 2-[(2-methylphenoxy)methyl]-5-[(2-phenylethyl)amino]-1,3-oxazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 6487-0577
2-[(2-methylphenoxy)methyl]-5-[(2-phenylethyl)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

6487-0577

Molecular Formula

C20H19N3O2 (C20 H19 N3 O2)

Compound Name

2-[(2-methylphenoxy)methyl]-5-[(2-phenylethyl)amino]-1,3-oxazole-4-carbonitrile

IUPAC name

2-[(2-methylphenoxy)methyl]-5-[(2-phenylethyl)amino]-13-oxazole-4-carbonitrile

SMILES

Cc(cccc1)c1OCc1nc(C#N)c(NCCc2ccccc2)o1

InChI

InChI=1S/C20H19N3O2/c1-15-7-5-6-10-18(15)24-14-19-23-17(13-21)20(25-19)22-12-11-16-8-3-2-4-9-16/h2-10,22H,11-12,14H2,1H3

InChI Key

UUHVFMQPVRCWEW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03523424

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.905

Distribution Coefficient, logD

3.905

Water Solubility, LogSw

-4.18

Polar Surface Area

53.371

Acid Dissociation Constant (pKa)

13.85

Base Dissociation Constant (pKb)

-1.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

6487-0577 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6487-0577 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6487-0577?
Check Price and Availability of 6487-0577, 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 6487-0577 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6487-0577
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6487-0577
  • 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 6487-0577 available by request