6487-0119 Screening compound: 5-[(3-ethoxypropyl)amino]-2-[(4-fluorophenoxy)methyl]-1,3-oxazole-4-carbonitrile

6487-0119 Screening compound: 5-[(3-ethoxypropyl)amino]-2-[(4-fluorophenoxy)methyl]-1,3-oxazole-4-carbonitrile
6487-0119 Screening compound: 5-[(3-ethoxypropyl)amino]-2-[(4-fluorophenoxy)methyl]-1,3-oxazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 6487-0119
5-[(3-ethoxypropyl)amino]-2-[(4-fluorophenoxy)methyl]-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

6487-0119

Molecular Formula

C16H18FN3O3 (C16 H18 FN3 O3)

Compound Name

5-[(3-ethoxypropyl)amino]-2-[(4-fluorophenoxy)methyl]-1,3-oxazole-4-carbonitrile

IUPAC name

5-[(3-ethoxypropyl)amino]-2-[(4-fluorophenoxy)methyl]-13-oxazole-4-carbonitrile

SMILES

CCOCCCNc1c(C#N)nc(COc(cc2)ccc2F)o1

InChI

InChI=1S/C16H18FN3O3/c1-2-21-9-3-8-19-16-14(10-18)20-15(23-16)11-22-13-6-4-12(17)5-7-13/h4-7,19H,2-3,8-9,11H2,1H3

InChI Key

MKBVTTJKVFGNAP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04066289

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.522

Distribution Coefficient, logD

2.522

Water Solubility, LogSw

-2.71

Polar Surface Area

61.533

Acid Dissociation Constant (pKa)

14.99

Base Dissociation Constant (pKb)

-1.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

6487-0119 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 6487-0119 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6487-0119?
Check Price and Availability of 6487-0119, 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 6487-0119 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6487-0119
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6487-0119
  • 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 6487-0119 available by request