D619-0788 Screening compound: 1-(azepan-1-yl)-2-(2-{5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}phenoxy)ethan-1-one

D619-0788 Screening compound: 1-(azepan-1-yl)-2-(2-{5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}phenoxy)ethan-1-one
D619-0788 Screening compound: 1-(azepan-1-yl)-2-(2-{5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}phenoxy)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D619-0788
1-(azepan-1-yl)-2-(2-{5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}phenoxy)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

D619-0788

Molecular Formula

C23H24FN3O4 (C23 H24 FN3 O4)

Compound Name

1-(azepan-1-yl)-2-(2-{5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}phenoxy)ethan-1-one

IUPAC name

1-(azepan-1-yl)-2-(2-{5-[(2-fluorophenoxy)methyl]-124-oxadiazol-3-yl}phenoxy)ethan-1-one

SMILES

O=C(COc(cccc1)c1-c1noc(COc(cccc2)c2F)n1)N1CCCCCC1

InChI

InChI=1S/C23H24FN3O4/c24-18-10-4-6-12-20(18)29-15-21-25-23(26-31-21)17-9-3-5-11-19(17)30-16-22(28)27-13-7-1-2-8-14-27/h3-6,9-12H,1-2,7-8,13-16H2

InChI Key

QLFWGEVNMQPFGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18181467

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.043

Distribution Coefficient, logD

4.043

Water Solubility, LogSw

-4.22

Polar Surface Area

62.933

Acid Dissociation Constant (pKa)

24.32

Base Dissociation Constant (pKb)

1.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

D619-0788 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with D619-0788 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D619-0788?
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What is the minimum amount of D619-0788 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D619-0788
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D619-0788
  • 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 D619-0788 available by request