F076-0787 Screening compound: N-{3-[4-acetyl-5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]phenyl}propanamide

F076-0787 Screening compound: N-{3-[4-acetyl-5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]phenyl}propanamide
F076-0787 Screening compound: N-{3-[4-acetyl-5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]phenyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F076-0787
N-{3-[4-acetyl-5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]phenyl}propanamide

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

F076-0787

Molecular Formula

C22H25N3O6 (C22 H25 N3 O6)

Compound Name

N-{3-[4-acetyl-5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]phenyl}propanamide

IUPAC name

N-{3-[4-acetyl-5-(345-trimethoxyphenyl)-45-dihydro-134-oxadiazol-2-yl]phenyl}propanamide

SMILES

CCC(Nc1cc(C(OC2c(cc3OC)cc(OC)c3OC)=NN2C(C)=O)ccc1)=O

InChI

InChI=1S/C22H25N3O6/c1-6-19(27)23-16-9-7-8-14(10-16)21-24-25(13(2)26)22(31-21)15-11-17(28-3)20(30-5)18(12-15)29-4/h7-12,22H,6H2,1-5H3,(H,23,27)/t22-/m1/s1

InChI Key

PWNXAKWSPOWFOH-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD27099561

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.978

Distribution Coefficient, logD

2.978

Water Solubility, LogSw

-3.31

Polar Surface Area

81.379

Acid Dissociation Constant (pKa)

13.09

Base Dissociation Constant (pKb)

-0.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.82

F076-0787 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with F076-0787 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F076-0787?
Check Price and Availability of F076-0787, 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 F076-0787 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F076-0787
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F076-0787
  • 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 F076-0787 available by request