V018-4160 Screening compound: N-{[5-(diethylamino)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl}-N-(3-methoxypropyl)-2H-1,3-benzodioxole-5-carboxamide

V018-4160 Screening compound: N-{[5-(diethylamino)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl}-N-(3-methoxypropyl)-2H-1,3-benzodioxole-5-carboxamide
V018-4160 Screening compound: N-{[5-(diethylamino)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl}-N-(3-methoxypropyl)-2H-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-4160
N-{[5-(diethylamino)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl}-N-(3-methoxypropyl)-2H-1,3-benzodioxole-5-carboxamide

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

V018-4160

Molecular Formula

C26H30FN3O5 (C26 H30 FN3 O5)

Compound Name

N-{[5-(diethylamino)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl}-N-(3-methoxypropyl)-2H-1,3-benzodioxole-5-carboxamide

IUPAC name

N-{[5-(diethylamino)-3-(4-fluorophenyl)-12-oxazol-4-yl]methyl}-N-(3-methoxypropyl)-2H-13-benzodioxole-5-carboxamide

SMILES

CCN(CC)c1c(CN(CCCOC)C(c(cc2)cc3c2OCO3)=O)c(-c(cc2)ccc2F)no1

InChI

InChI=1S/C26H30FN3O5/c1-4-29(5-2)26-21(24(28-35-26)18-7-10-20(27)11-8-18)16-30(13-6-14-32-3)25(31)19-9-12-22-23(15-19)34-17-33-22/h7-12,15H,4-6,13-14,16-17H2,1-3H3

InChI Key

OGDSLJIPPLAPSA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19878795

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

483.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.092

Distribution Coefficient, logD

4.092

Water Solubility, LogSw

-4.21

Polar Surface Area

67.468

Acid Dissociation Constant (pKa)

22.89

Base Dissociation Constant (pKb)

-0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

V018-4160 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with V018-4160 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-4160?
Check Price and Availability of V018-4160, 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 V018-4160 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-4160
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-4160
  • 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 V018-4160 available by request