C797-0434 Screening compound: N-[3-(azepan-1-yl)propyl]-1-{1-[(3-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}piperidine-4-carboxamide

C797-0434 Screening compound: N-[3-(azepan-1-yl)propyl]-1-{1-[(3-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}piperidine-4-carboxamide
C797-0434 Screening compound: N-[3-(azepan-1-yl)propyl]-1-{1-[(3-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C797-0434
N-[3-(azepan-1-yl)propyl]-1-{1-[(3-fluorophenyl)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

C797-0434

Molecular Formula

C29H38FN5O (C29 H38 FN5 O)

Compound Name

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

IUPAC name

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

SMILES

O=C(C(CC1)CCN1c1nc(cccc2)c2n1Cc1cccc(F)c1)NCCCN1CCCCCC1

InChI

InChI=1S/C29H38FN5O/c30-25-10-7-9-23(21-25)22-35-27-12-4-3-11-26(27)32-29(35)34-19-13-24(14-20-34)28(36)31-15-8-18-33-16-5-1-2-6-17-33/h3-4,7,9-12,21,24H,1-2,5-6,8,13-20,22H2,(H,31,36)

InChI Key

PUUDYXXVWCFFHF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14798088

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.65

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.038

Distribution Coefficient, logD

2.410

Water Solubility, LogSw

-4.75

Polar Surface Area

41.729

Acid Dissociation Constant (pKa)

15.07

Base Dissociation Constant (pKb)

10.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

51.70

C797-0434 in Drug Discovery

Included in Screening Libraries

Nucleic Acid Ligands (8311 compounds)

PI3K-Targeted Library (17255 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
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Proteases

References: we are preparing a list of scientific research reports with C797-0434 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C797-0434?
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What is the minimum amount of C797-0434 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C797-0434
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C797-0434
  • 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 C797-0434 available by request