D516-0381 Screening compound: N-(2-{5-[2-(2-chlorophenoxy)acetamido]-1-methyl-1H-1,3-benzodiazol-2-yl}ethyl)-2-fluorobenzamide

D516-0381 Screening compound: N-(2-{5-[2-(2-chlorophenoxy)acetamido]-1-methyl-1H-1,3-benzodiazol-2-yl}ethyl)-2-fluorobenzamide
D516-0381 Screening compound: N-(2-{5-[2-(2-chlorophenoxy)acetamido]-1-methyl-1H-1,3-benzodiazol-2-yl}ethyl)-2-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D516-0381
N-(2-{5-[2-(2-chlorophenoxy)acetamido]-1-methyl-1H-1,3-benzodiazol-2-yl}ethyl)-2-fluorobenzamide

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

D516-0381

Molecular Formula

C25H22ClFN4O3 (C25 H22 ClFN4 O3)

Compound Name

N-(2-{5-[2-(2-chlorophenoxy)acetamido]-1-methyl-1H-1,3-benzodiazol-2-yl}ethyl)-2-fluorobenzamide

IUPAC name

N-(2-{5-[2-(2-chlorophenoxy)acetamido]-1-methyl-1H-13-benzodiazol-2-yl}ethyl)-2-fluorobenzamide

SMILES

Cn1c(ccc(NC(COc(cccc2)c2Cl)=O)c2)c2nc1CCNC(c(cccc1)c1F)=O

InChI

InChI=1S/C25H22ClFN4O3/c1-31-21-11-10-16(29-24(32)15-34-22-9-5-3-7-18(22)26)14-20(21)30-23(31)12-13-28-25(33)17-6-2-4-8-19(17)27/h2-11,14H,12-13,15H2,1H3,(H,28,33)(H,29,32)

InChI Key

GEYHSBPQPINESJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27590571

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.93

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.129

Distribution Coefficient, logD

4.124

Water Solubility, LogSw

-4.51

Polar Surface Area

66.943

Acid Dissociation Constant (pKa)

12.27

Base Dissociation Constant (pKb)

5.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

D516-0381 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 D516-0381 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D516-0381?
Check Price and Availability of D516-0381, 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 D516-0381 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D516-0381
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D516-0381
  • 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 D516-0381 available by request