F255-0051 Screening compound: 4-(azepan-1-yl)-4-oxo-N-{4-[2-(1-phenyl-1H-1,3-benzodiazol-2-yl)ethyl]phenyl}butanamide

F255-0051 Screening compound: 4-(azepan-1-yl)-4-oxo-N-{4-[2-(1-phenyl-1H-1,3-benzodiazol-2-yl)ethyl]phenyl}butanamide
F255-0051 Screening compound: 4-(azepan-1-yl)-4-oxo-N-{4-[2-(1-phenyl-1H-1,3-benzodiazol-2-yl)ethyl]phenyl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F255-0051
4-(azepan-1-yl)-4-oxo-N-{4-[2-(1-phenyl-1H-1,3-benzodiazol-2-yl)ethyl]phenyl}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

F255-0051

Molecular Formula

C31H34N4O2 (C31 H34 N4 O2)

Compound Name

4-(azepan-1-yl)-4-oxo-N-{4-[2-(1-phenyl-1H-1,3-benzodiazol-2-yl)ethyl]phenyl}butanamide

IUPAC name

4-(azepan-1-yl)-4-oxo-N-{4-[2-(1-phenyl-1H-13-benzodiazol-2-yl)ethyl]phenyl}butanamide

SMILES

O=C(CCC(N1CCCCCC1)=O)Nc1ccc(CCc2nc(cccc3)c3n2-c2ccccc2)cc1

InChI

InChI=1S/C31H34N4O2/c36-30(20-21-31(37)34-22-8-1-2-9-23-34)32-25-17-14-24(15-18-25)16-19-29-33-27-12-6-7-13-28(27)35(29)26-10-4-3-5-11-26/h3-7,10-15,17-18H,1-2,8-9,16,19-23H2,(H,32,36)

InChI Key

ZMPMMHWFDAGPTQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14946021

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.64

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.178

Distribution Coefficient, logD

5.126

Water Solubility, LogSw

-5.24

Polar Surface Area

51.216

Acid Dissociation Constant (pKa)

12.33

Base Dissociation Constant (pKb)

6.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.30

F255-0051 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Lipid Metabolism Library (9174 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cardiovascular
  • Metabolic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F255-0051 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F255-0051?
Check Price and Availability of F255-0051, 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 F255-0051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F255-0051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F255-0051
  • 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 F255-0051 available by request