E613-0599 Screening compound: 2-{[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy}-1-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}ethan-1-one

E613-0599 Screening compound: 2-{[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy}-1-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}ethan-1-one
E613-0599 Screening compound: 2-{[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy}-1-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E613-0599
2-{[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy}-1-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}ethan-1-one

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

E613-0599

Molecular Formula

C26H30FN3O6 (C26 H30 FN3 O6)

Compound Name

2-{[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy}-1-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}ethan-1-one

IUPAC name

2-{[5-(4-fluorophenyl)-12-oxazol-3-yl]methoxy}-1-{4-[(234-trimethoxyphenyl)methyl]piperazin-1-yl}ethan-1-one

SMILES

COc(ccc(CN(CC1)CCN1C(COCc1noc(-c(cc2)ccc2F)c1)=O)c1OC)c1OC

InChI

InChI=1S/C26H30FN3O6/c1-32-22-9-6-19(25(33-2)26(22)34-3)15-29-10-12-30(13-11-29)24(31)17-35-16-21-14-23(36-28-21)18-4-7-20(27)8-5-18/h4-9,14H,10-13,15-17H2,1-3H3

InChI Key

YDISNZJPXZPUER-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14904109

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.809

Distribution Coefficient, logD

2.497

Water Solubility, LogSw

-3.07

Polar Surface Area

73.429

Acid Dissociation Constant (pKa)

21.21

Base Dissociation Constant (pKb)

7.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

E613-0599 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with E613-0599 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E613-0599?
Check Price and Availability of E613-0599, 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 E613-0599 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E613-0599
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E613-0599
  • 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 E613-0599 available by request