6409-0038 Screening compound: 5-{[(4-chlorophenyl)methyl]amino}-2-(4-ethoxyphenyl)-1,3-oxazole-4-carbonitrile

6409-0038 Screening compound: 5-{[(4-chlorophenyl)methyl]amino}-2-(4-ethoxyphenyl)-1,3-oxazole-4-carbonitrile
6409-0038 Screening compound: 5-{[(4-chlorophenyl)methyl]amino}-2-(4-ethoxyphenyl)-1,3-oxazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 6409-0038
5-{[(4-chlorophenyl)methyl]amino}-2-(4-ethoxyphenyl)-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

6409-0038

Molecular Formula

C19H16ClN3O2 (C19 H16 ClN3 O2)

Compound Name

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

IUPAC name

5-{[(4-chlorophenyl)methyl]amino}-2-(4-ethoxyphenyl)-13-oxazole-4-carbonitrile

SMILES

CCOc(cc1)ccc1-c1nc(C#N)c(NCc(cc2)ccc2Cl)o1

InChI

InChI=1S/C19H16ClN3O2/c1-2-24-16-9-5-14(6-10-16)18-23-17(11-21)19(25-18)22-12-13-3-7-15(20)8-4-13/h3-10,22H,2,12H2,1H3

InChI Key

WFCVZQYJXQIUGY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03490605

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.81

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.316

Distribution Coefficient, logD

4.316

Water Solubility, LogSw

-4.54

Polar Surface Area

53.401

Acid Dissociation Constant (pKa)

14.91

Base Dissociation Constant (pKb)

-6.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

6409-0038 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 6409-0038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6409-0038?
Check Price and Availability of 6409-0038, 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 6409-0038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6409-0038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6409-0038
  • 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 6409-0038 available by request