F779-1201 Screening compound: 3-(1H-1,3-benzodiazol-2-yl)-N-{3-[2-(1-methyl-1H-1,3-benzodiazol-2-yl)ethyl]phenyl}propanamide

F779-1201 Screening compound: 3-(1H-1,3-benzodiazol-2-yl)-N-{3-[2-(1-methyl-1H-1,3-benzodiazol-2-yl)ethyl]phenyl}propanamide
F779-1201 Screening compound: 3-(1H-1,3-benzodiazol-2-yl)-N-{3-[2-(1-methyl-1H-1,3-benzodiazol-2-yl)ethyl]phenyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F779-1201
3-(1H-1,3-benzodiazol-2-yl)-N-{3-[2-(1-methyl-1H-1,3-benzodiazol-2-yl)ethyl]phenyl}propanamide

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

F779-1201

Molecular Formula

C26H25N5O (C26 H25 N5 O)

Compound Name

3-(1H-1,3-benzodiazol-2-yl)-N-{3-[2-(1-methyl-1H-1,3-benzodiazol-2-yl)ethyl]phenyl}propanamide

IUPAC name

3-(1H-13-benzodiazol-2-yl)-N-{3-[2-(1-methyl-1H-13-benzodiazol-2-yl)ethyl]phenyl}propanamide

SMILES

Cn1c(cccc2)c2nc1CCc1cccc(NC(CCc2nc(cccc3)c3[nH]2)=O)c1

InChI

InChI=1S/C26H25N5O/c1-31-23-12-5-4-11-22(23)30-25(31)15-13-18-7-6-8-19(17-18)27-26(32)16-14-24-28-20-9-2-3-10-21(20)29-24/h2-12,17H,13-16H2,1H3,(H,27,32)(H,28,29)

InChI Key

VZKNARBXGJNHQB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27189712

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.485

Distribution Coefficient, logD

4.360

Water Solubility, LogSw

-4.43

Polar Surface Area

55.113

Acid Dissociation Constant (pKa)

13.46

Base Dissociation Constant (pKb)

6.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

F779-1201 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)

CNS Targets (44014 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F779-1201 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F779-1201?
Check Price and Availability of F779-1201, 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 F779-1201 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F779-1201
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F779-1201
  • 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 F779-1201 available by request