D516-0366 Screening compound: N-(2-{2-[(2-fluorophenyl)formamido]ethyl}-1-methyl-1H-1,3-benzodiazol-5-yl)-2-methoxybenzamide

D516-0366 Screening compound: N-(2-{2-[(2-fluorophenyl)formamido]ethyl}-1-methyl-1H-1,3-benzodiazol-5-yl)-2-methoxybenzamide
D516-0366 Screening compound: N-(2-{2-[(2-fluorophenyl)formamido]ethyl}-1-methyl-1H-1,3-benzodiazol-5-yl)-2-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D516-0366
N-(2-{2-[(2-fluorophenyl)formamido]ethyl}-1-methyl-1H-1,3-benzodiazol-5-yl)-2-methoxybenzamide

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

D516-0366

Molecular Formula

C25H23FN4O3 (C25 H23 FN4 O3)

Compound Name

N-(2-{2-[(2-fluorophenyl)formamido]ethyl}-1-methyl-1H-1,3-benzodiazol-5-yl)-2-methoxybenzamide

IUPAC name

N-(2-{2-[(2-fluorophenyl)formamido]ethyl}-1-methyl-1H-13-benzodiazol-5-yl)-2-methoxybenzamide

SMILES

Cn1c(ccc(NC(c(cccc2)c2OC)=O)c2)c2nc1CCNC(c(cccc1)c1F)=O

InChI

InChI=1S/C25H23FN4O3/c1-30-21-12-11-16(28-25(32)18-8-4-6-10-22(18)33-2)15-20(21)29-23(30)13-14-27-24(31)17-7-3-5-9-19(17)26/h3-12,15H,13-14H2,1-2H3,(H,27,31)(H,28,32)

InChI Key

FGPUCJUXLCAMSF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27590558

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.525

Distribution Coefficient, logD

3.522

Water Solubility, LogSw

-3.94

Polar Surface Area

67.201

Acid Dissociation Constant (pKa)

9.70

Base Dissociation Constant (pKb)

4.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

D516-0366 in Drug Discovery

Included in Screening Libraries

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 D516-0366 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D516-0366?
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What is the minimum amount of D516-0366 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D516-0366
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D516-0366
  • 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 D516-0366 available by request