C776-3686 Screening compound: 1-(1-{1-[(2,5-dimethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}piperidine-4-carbonyl)piperidine-4-carboxamide

C776-3686 Screening compound: 1-(1-{1-[(2,5-dimethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}piperidine-4-carbonyl)piperidine-4-carboxamide
C776-3686 Screening compound: 1-(1-{1-[(2,5-dimethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}piperidine-4-carbonyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C776-3686
1-(1-{1-[(2,5-dimethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}piperidine-4-carbonyl)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

C776-3686

Molecular Formula

C28H35N5O2 (C28 H35 N5 O2)

Compound Name

1-(1-{1-[(2,5-dimethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}piperidine-4-carbonyl)piperidine-4-carboxamide

IUPAC name

1-(1-{1-[(25-dimethylphenyl)methyl]-1H-13-benzodiazol-2-yl}piperidine-4-carbonyl)piperidine-4-carboxamide

SMILES

Cc1cc(Cn2c(N(CC3)CCC3C(N(CC3)CCC3C(N)=O)=O)nc3c2cccc3)c(C)cc1

InChI

InChI=1S/C28H35N5O2/c1-19-7-8-20(2)23(17-19)18-33-25-6-4-3-5-24(25)30-28(33)32-15-11-22(12-16-32)27(35)31-13-9-21(10-14-31)26(29)34/h3-8,17,21-22H,9-16,18H2,1-2H3,(H2,29,34)

InChI Key

AMBYDHDNKFQNNA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14793176

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.62

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.354

Distribution Coefficient, logD

4.271

Water Solubility, LogSw

-4.40

Polar Surface Area

63.867

Acid Dissociation Constant (pKa)

14.92

Base Dissociation Constant (pKb)

6.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.40

C776-3686 in Drug Discovery

Included in Screening Libraries

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

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with C776-3686 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C776-3686?
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What is the minimum amount of C776-3686 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C776-3686
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C776-3686
  • 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 C776-3686 available by request