F255-0580 Screening compound: 4-(azepan-1-yl)-N-{4-[2-(5-methyl-1H-1,3-benzodiazol-2-yl)ethyl]phenyl}-4-oxobutanamide

F255-0580 Screening compound: 4-(azepan-1-yl)-N-{4-[2-(5-methyl-1H-1,3-benzodiazol-2-yl)ethyl]phenyl}-4-oxobutanamide
F255-0580 Screening compound: 4-(azepan-1-yl)-N-{4-[2-(5-methyl-1H-1,3-benzodiazol-2-yl)ethyl]phenyl}-4-oxobutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F255-0580
4-(azepan-1-yl)-N-{4-[2-(5-methyl-1H-1,3-benzodiazol-2-yl)ethyl]phenyl}-4-oxobutanamide

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

F255-0580

Molecular Formula

C26H32N4O2 (C26 H32 N4 O2)

Compound Name

4-(azepan-1-yl)-N-{4-[2-(5-methyl-1H-1,3-benzodiazol-2-yl)ethyl]phenyl}-4-oxobutanamide

IUPAC name

4-(azepan-1-yl)-N-{4-[2-(5-methyl-1H-13-benzodiazol-2-yl)ethyl]phenyl}-4-oxobutanamide

SMILES

Cc(cc1)cc2c1[nH]c(CCc(cc1)ccc1NC(CCC(N1CCCCCC1)=O)=O)n2

InChI

InChI=1S/C26H32N4O2/c1-19-6-12-22-23(18-19)29-24(28-22)13-9-20-7-10-21(11-8-20)27-25(31)14-15-26(32)30-16-4-2-3-5-17-30/h6-8,10-12,18H,2-5,9,13-17H2,1H3,(H,27,31)(H,28,29)

InChI Key

UMOVMCBXLQLFQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14946265

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.367

Distribution Coefficient, logD

4.352

Water Solubility, LogSw

-4.28

Polar Surface Area

59.850

Acid Dissociation Constant (pKa)

13.72

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

F255-0580 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with F255-0580 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F255-0580?
Check Price and Availability of F255-0580, 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 F255-0580 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F255-0580
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F255-0580
  • 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 F255-0580 available by request