D516-0343 Screening compound: 3-fluoro-4-methyl-N-(2-{1-methyl-5-[2-(4-methylphenoxy)acetamido]-1H-1,3-benzodiazol-2-yl}ethyl)benzamide

D516-0343 Screening compound: 3-fluoro-4-methyl-N-(2-{1-methyl-5-[2-(4-methylphenoxy)acetamido]-1H-1,3-benzodiazol-2-yl}ethyl)benzamide
D516-0343 Screening compound: 3-fluoro-4-methyl-N-(2-{1-methyl-5-[2-(4-methylphenoxy)acetamido]-1H-1,3-benzodiazol-2-yl}ethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D516-0343
3-fluoro-4-methyl-N-(2-{1-methyl-5-[2-(4-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

D516-0343

Molecular Formula

C27H27FN4O3 (C27 H27 FN4 O3)

Compound Name

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

IUPAC name

3-fluoro-4-methyl-N-(2-{1-methyl-5-[2-(4-methylphenoxy)acetamido]-1H-13-benzodiazol-2-yl}ethyl)benzamide

SMILES

Cc(cc1)ccc1OCC(Nc(cc1)cc2c1n(C)c(CCNC(c1cc(F)c(C)cc1)=O)n2)=O

InChI

InChI=1S/C27H27FN4O3/c1-17-4-9-21(10-5-17)35-16-26(33)30-20-8-11-24-23(15-20)31-25(32(24)3)12-13-29-27(34)19-7-6-18(2)22(28)14-19/h4-11,14-15H,12-13,16H2,1-3H3,(H,29,34)(H,30,33)

InChI Key

BOUPAJZWCMCDLO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14833125

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.53

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

4.546

Distribution Coefficient, logD

4.541

Water Solubility, LogSw

-4.30

Polar Surface Area

66.857

Acid Dissociation Constant (pKa)

12.21

Base Dissociation Constant (pKb)

5.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

D516-0343 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

New Agro Library (44492 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Agro:
  • Agro
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with D516-0343 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D516-0343?
Check Price and Availability of D516-0343, 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 D516-0343 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D516-0343
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D516-0343
  • 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 D516-0343 available by request