S399-1779 Screening compound: 4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-{2-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}butanamide

S399-1779 Screening compound: 4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-{2-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}butanamide
S399-1779 Screening compound: 4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-{2-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S399-1779
4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-{2-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}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

S399-1779

Molecular Formula

C23H24N6O5 (C23 H24 N6 O5)

Compound Name

4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-{2-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}butanamide

IUPAC name

4-[3-(34-dimethoxyphenyl)-124-oxadiazol-5-yl]-N-{2-[5-(pyridin-3-yl)-124-oxadiazol-3-yl]ethyl}butanamide

SMILES

COc(ccc(-c1noc(CCCC(NCCc2noc(-c3cnccc3)n2)=O)n1)c1)c1OC

InChI

InChI=1S/C23H24N6O5/c1-31-17-9-8-15(13-18(17)32-2)22-27-21(33-29-22)7-3-6-20(30)25-12-10-19-26-23(34-28-19)16-5-4-11-24-14-16/h4-5,8-9,11,13-14H,3,6-7,10,12H2,1-2H3,(H,25,30)

InChI Key

YJFAWQRWJBUARG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31977015

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.48

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.733

Distribution Coefficient, logD

1.639

Water Solubility, LogSw

-1.51

Polar Surface Area

113.069

Acid Dissociation Constant (pKa)

14.85

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.43

S399-1779 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S399-1779 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S399-1779?
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What is the minimum amount of S399-1779 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S399-1779
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S399-1779
  • 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 S399-1779 available by request