C776-3872 Screening compound: N-[(3-chlorophenyl)methyl]-1-{1-[(3-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}piperidine-4-carboxamide

C776-3872 Screening compound: N-[(3-chlorophenyl)methyl]-1-{1-[(3-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}piperidine-4-carboxamide
C776-3872 Screening compound: N-[(3-chlorophenyl)methyl]-1-{1-[(3-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C776-3872
N-[(3-chlorophenyl)methyl]-1-{1-[(3-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}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

C776-3872

Molecular Formula

C28H29ClN4O (C28 H29 ClN4 O)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(Cn2c(N(CC3)CCC3C(NCc3cccc(Cl)c3)=O)nc3c2cccc3)c1

InChI

InChI=1S/C28H29ClN4O/c1-20-6-4-8-22(16-20)19-33-26-11-3-2-10-25(26)31-28(33)32-14-12-23(13-15-32)27(34)30-18-21-7-5-9-24(29)17-21/h2-11,16-17,23H,12-15,18-19H2,1H3,(H,30,34)

InChI Key

ZYPDAHQHQDFHQM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14793236

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.02

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.222

Distribution Coefficient, logD

6.206

Water Solubility, LogSw

-6.06

Polar Surface Area

37.574

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

5.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

C776-3872 in Drug Discovery

Included in Screening Libraries

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

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • 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 C776-3872 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C776-3872?
Check Price and Availability of C776-3872, 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 C776-3872 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C776-3872
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C776-3872
  • 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 C776-3872 available by request