D516-0376 Screening compound: 2-fluoro-N-(2-{1-methyl-5-[2-(2-methylphenoxy)acetamido]-1H-1,3-benzodiazol-2-yl}ethyl)benzamide

D516-0376 Screening compound: 2-fluoro-N-(2-{1-methyl-5-[2-(2-methylphenoxy)acetamido]-1H-1,3-benzodiazol-2-yl}ethyl)benzamide
D516-0376 Screening compound: 2-fluoro-N-(2-{1-methyl-5-[2-(2-methylphenoxy)acetamido]-1H-1,3-benzodiazol-2-yl}ethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D516-0376
2-fluoro-N-(2-{1-methyl-5-[2-(2-methylphenoxy)acetamido]-1H-1,3-benzodiazol-2-yl}ethyl)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

D516-0376

Molecular Formula

C26H25FN4O3 (C26 H25 FN4 O3)

Compound Name

2-fluoro-N-(2-{1-methyl-5-[2-(2-methylphenoxy)acetamido]-1H-1,3-benzodiazol-2-yl}ethyl)benzamide

IUPAC name

2-fluoro-N-(2-{1-methyl-5-[2-(2-methylphenoxy)acetamido]-1H-13-benzodiazol-2-yl}ethyl)benzamide

SMILES

Cc(cccc1)c1OCC(Nc(cc1)cc2c1n(C)c(CCNC(c(cccc1)c1F)=O)n2)=O

InChI

InChI=1S/C26H25FN4O3/c1-17-7-3-6-10-23(17)34-16-25(32)29-18-11-12-22-21(15-18)30-24(31(22)2)13-14-28-26(33)19-8-4-5-9-20(19)27/h3-12,15H,13-14,16H2,1-2H3,(H,28,33)(H,29,32)

InChI Key

AHOCIWZQMMSHQB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27590566

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.51

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

4.209

Distribution Coefficient, logD

4.204

Water Solubility, LogSw

-4.40

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

19.20

D516-0376 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 D516-0376 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D516-0376?
Check Price and Availability of D516-0376, 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 D516-0376 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D516-0376
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D516-0376
  • 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 D516-0376 available by request