C776-0968 Screening compound: 1-{1-[(2-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide

C776-0968 Screening compound: 1-{1-[(2-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
C776-0968 Screening compound: 1-{1-[(2-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C776-0968
1-{1-[(2-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide

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

C776-0968

Molecular Formula

C28H29FN4O2 (C28 H29 FN4 O2)

Compound Name

1-{1-[(2-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide

IUPAC name

1-{1-[(2-fluorophenyl)methyl]-1H-13-benzodiazol-2-yl}-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide

SMILES

COc1cccc(CNC(C(CC2)CCN2c2nc(cccc3)c3n2Cc(cccc2)c2F)=O)c1

InChI

InChI=1S/C28H29FN4O2/c1-35-23-9-6-7-20(17-23)18-30-27(34)21-13-15-32(16-14-21)28-31-25-11-4-5-12-26(25)33(28)19-22-8-2-3-10-24(22)29/h2-12,17,21H,13-16,18-19H2,1H3,(H,30,34)

InChI Key

CAJWZHSHFUFDNE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14793000

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.56

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.253

Distribution Coefficient, logD

5.248

Water Solubility, LogSw

-5.11

Polar Surface Area

45.117

Acid Dissociation Constant (pKa)

13.07

Base Dissociation Constant (pKb)

5.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

C776-0968 in Drug Discovery

Included in Screening Libraries

Nucleic Acid Ligands (8311 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with C776-0968 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C776-0968?
Check Price and Availability of C776-0968, 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 C776-0968 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C776-0968
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C776-0968
  • 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 C776-0968 available by request