C776-0888 Screening compound: 1-{1-[(2-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-N-[(pyridin-2-yl)methyl]piperidine-4-carboxamide

C776-0888 Screening compound: 1-{1-[(2-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-N-[(pyridin-2-yl)methyl]piperidine-4-carboxamide
C776-0888 Screening compound: 1-{1-[(2-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-N-[(pyridin-2-yl)methyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C776-0888
1-{1-[(2-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-N-[(pyridin-2-yl)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

C776-0888

Molecular Formula

C26H26FN5O (C26 H26 FN5 O)

Compound Name

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

IUPAC name

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

SMILES

O=C(C(CC1)CCN1c1nc(cccc2)c2n1Cc(cccc1)c1F)NCc1ncccc1

InChI

InChI=1S/C26H26FN5O/c27-22-9-2-1-7-20(22)18-32-24-11-4-3-10-23(24)30-26(32)31-15-12-19(13-16-31)25(33)29-17-21-8-5-6-14-28-21/h1-11,14,19H,12-13,15-18H2,(H,29,33)

InChI Key

NRZDWSZDSOMYLI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14792986

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.246

Distribution Coefficient, logD

4.241

Water Solubility, LogSw

-4.22

Polar Surface Area

47.117

Acid Dissociation Constant (pKa)

12.37

Base Dissociation Constant (pKb)

5.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

C776-0888 in Drug Discovery

Included in Screening Libraries

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

Cardiovascular Library (22201 compounds)

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with C776-0888 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C776-0888?
Check Price and Availability of C776-0888, 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 C776-0888 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C776-0888
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C776-0888
  • 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 C776-0888 available by request