C776-3712 Screening compound: 1-{1-[(2,5-dimethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}-N-[(pyridin-2-yl)methyl]piperidine-4-carboxamide

C776-3712 Screening compound: 1-{1-[(2,5-dimethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}-N-[(pyridin-2-yl)methyl]piperidine-4-carboxamide
C776-3712 Screening compound: 1-{1-[(2,5-dimethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}-N-[(pyridin-2-yl)methyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C776-3712
1-{1-[(2,5-dimethylphenyl)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

C776-3712

Molecular Formula

C28H31N5O (C28 H31 N5 O)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(Cn2c(N(CC3)CCC3C(NCc3ncccc3)=O)nc3c2cccc3)c(C)cc1

InChI

InChI=1S/C28H31N5O/c1-20-10-11-21(2)23(17-20)19-33-26-9-4-3-8-25(26)31-28(33)32-15-12-22(13-16-32)27(34)30-18-24-7-5-6-14-29-24/h3-11,14,17,22H,12-13,15-16,18-19H2,1-2H3,(H,30,34)

InChI Key

LLPMHJGQYWGLML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14793183

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.59

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

5.152

Distribution Coefficient, logD

5.068

Water Solubility, LogSw

-4.92

Polar Surface Area

47.117

Acid Dissociation Constant (pKa)

12.37

Base Dissociation Constant (pKb)

6.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.10

C776-3712 in Drug Discovery

Included in Screening Libraries

Nucleic Acid Ligands (8311 compounds)

Akt-Targeted Library (14764 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C776-3712 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C776-3712?
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What is the minimum amount of C776-3712 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C776-3712
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C776-3712
  • 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 C776-3712 available by request