D674-0576 Screening compound: 2-(3-{5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}phenoxy)-N-(propan-2-yl)acetamide

D674-0576 Screening compound: 2-(3-{5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}phenoxy)-N-(propan-2-yl)acetamide
D674-0576 Screening compound: 2-(3-{5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}phenoxy)-N-(propan-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D674-0576
2-(3-{5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}phenoxy)-N-(propan-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

D674-0576

Molecular Formula

C20H20FN3O4 (C20 H20 FN3 O4)

Compound Name

2-(3-{5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}phenoxy)-N-(propan-2-yl)acetamide

IUPAC name

2-(3-{5-[(2-fluorophenoxy)methyl]-124-oxadiazol-3-yl}phenoxy)-N-(propan-2-yl)acetamide

SMILES

CC(C)NC(COc1cccc(-c2noc(COc(cccc3)c3F)n2)c1)=O

InChI

InChI=1S/C20H20FN3O4/c1-13(2)22-18(25)11-26-15-7-5-6-14(10-15)20-23-19(28-24-20)12-27-17-9-4-3-8-16(17)21/h3-10,13H,11-12H2,1-2H3,(H,22,25)

InChI Key

PRTFMTHKESLMGC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27595576

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.744

Distribution Coefficient, logD

3.744

Water Solubility, LogSw

-3.98

Polar Surface Area

69.840

Acid Dissociation Constant (pKa)

15.49

Base Dissociation Constant (pKb)

5.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D674-0576 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D674-0576 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D674-0576?
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What is the minimum amount of D674-0576 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D674-0576
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D674-0576
  • 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 D674-0576 available by request