E613-0496 Screening compound: 2-{[5-(4-fluorophenyl)-3-isoxazolyl]methoxy}-N~1~-(6-methoxy-1,3-benzothiazol-2-yl)acetamide

E613-0496 Screening compound: 2-{[5-(4-fluorophenyl)-3-isoxazolyl]methoxy}-N~1~-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
E613-0496 Screening compound: 2-{[5-(4-fluorophenyl)-3-isoxazolyl]methoxy}-N~1~-(6-methoxy-1,3-benzothiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E613-0496
2-{[5-(4-fluorophenyl)-3-isoxazolyl]methoxy}-N~1~-(6-methoxy-1,3-benzothiazol-2-yl)acetamide

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

E613-0496

Molecular Formula

C20H16FN3O4S (C20 H16 FN3 O4 S)

Compound Name

2-{[5-(4-fluorophenyl)-3-isoxazolyl]methoxy}-N~1~-(6-methoxy-1,3-benzothiazol-2-yl)acetamide

IUPAC name

n/a

SMILES

COc(cc1)cc2c1nc(NC(COCc1noc(-c(cc3)ccc3F)c1)=O)s2

InChI

InChI=1S/C20H16FN3O4S/c1-26-15-6-7-16-18(9-15)29-20(22-16)23-19(25)11-27-10-14-8-17(28-24-14)12-2-4-13(21)5-3-12/h2-9H,10-11H2,1H3,(H,22,23,25)

InChI Key

SAXAMPLUNCXVRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14904084

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.406

Distribution Coefficient, logD

4.406

Water Solubility, LogSw

-4.36

Polar Surface Area

70.886

Acid Dissociation Constant (pKa)

11.21

Base Dissociation Constant (pKb)

0.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

E613-0496 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E613-0496 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E613-0496?
Check Price and Availability of E613-0496, 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 E613-0496 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E613-0496
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E613-0496
  • 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 E613-0496 available by request