F255-0417 Screening compound: 3,4,5-triethoxy-N-{4-[2-(1-methyl-1H-1,3-benzodiazol-2-yl)ethyl]phenyl}benzamide

F255-0417 Screening compound: 3,4,5-triethoxy-N-{4-[2-(1-methyl-1H-1,3-benzodiazol-2-yl)ethyl]phenyl}benzamide
F255-0417 Screening compound: 3,4,5-triethoxy-N-{4-[2-(1-methyl-1H-1,3-benzodiazol-2-yl)ethyl]phenyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F255-0417
3,4,5-triethoxy-N-{4-[2-(1-methyl-1H-1,3-benzodiazol-2-yl)ethyl]phenyl}benzamide

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

F255-0417

Molecular Formula

C29H33N3O4 (C29 H33 N3 O4)

Compound Name

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

IUPAC name

345-triethoxy-N-{4-[2-(1-methyl-1H-13-benzodiazol-2-yl)ethyl]phenyl}benzamide

SMILES

CCOc1cc(C(Nc2ccc(CCc3nc(cccc4)c4n3C)cc2)=O)cc(OCC)c1OCC

InChI

InChI=1S/C29H33N3O4/c1-5-34-25-18-21(19-26(35-6-2)28(25)36-7-3)29(33)30-22-15-12-20(13-16-22)14-17-27-31-23-10-8-9-11-24(23)32(27)4/h8-13,15-16,18-19H,5-7,14,17H2,1-4H3,(H,30,33)

InChI Key

ZDGZNQBDPIFGHS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14946204

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.458

Distribution Coefficient, logD

5.333

Water Solubility, LogSw

-5.37

Polar Surface Area

56.762

Acid Dissociation Constant (pKa)

12.61

Base Dissociation Constant (pKb)

6.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.00

F255-0417 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F255-0417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F255-0417?
Check Price and Availability of F255-0417, 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 F255-0417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F255-0417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F255-0417
  • 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 F255-0417 available by request