D321-0558 Screening compound: N-(4-bromo-2-fluorophenyl)-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide

D321-0558 Screening compound: N-(4-bromo-2-fluorophenyl)-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
D321-0558 Screening compound: N-(4-bromo-2-fluorophenyl)-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D321-0558
N-(4-bromo-2-fluorophenyl)-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide

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

D321-0558

Molecular Formula

C19H17BrFN3O3 (C19 H17 BrFN3 O3)

Compound Name

N-(4-bromo-2-fluorophenyl)-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide

IUPAC name

N-(4-bromo-2-fluorophenyl)-4-[3-(2-methoxyphenyl)-124-oxadiazol-5-yl]butanamide

SMILES

COc(cccc1)c1-c1noc(CCCC(Nc(ccc(Br)c2)c2F)=O)n1

InChI

InChI=1S/C19H17BrFN3O3/c1-26-16-6-3-2-5-13(16)19-23-18(27-24-19)8-4-7-17(25)22-15-10-9-12(20)11-14(15)21/h2-3,5-6,9-11H,4,7-8H2,1H3,(H,22,25)

InChI Key

IUQITMPWCUJJFZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09764527

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.26

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.035

Distribution Coefficient, logD

4.019

Water Solubility, LogSw

-4.35

Polar Surface Area

61.392

Acid Dissociation Constant (pKa)

8.84

Base Dissociation Constant (pKb)

-1.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

D321-0558 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D321-0558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D321-0558?
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What is the minimum amount of D321-0558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D321-0558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D321-0558
  • 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 D321-0558 available by request