C797-0468 Screening compound: N-[(3-fluorophenyl)methyl]-1-{1-[(2-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}piperidine-4-carboxamide

C797-0468 Screening compound: N-[(3-fluorophenyl)methyl]-1-{1-[(2-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}piperidine-4-carboxamide
C797-0468 Screening compound: N-[(3-fluorophenyl)methyl]-1-{1-[(2-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C797-0468
N-[(3-fluorophenyl)methyl]-1-{1-[(2-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

C797-0468

Molecular Formula

C27H26F2N4O (C27 H26 F2 N4 O)

Compound Name

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

IUPAC name

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

SMILES

O=C(C(CC1)CCN1c1nc(cccc2)c2n1Cc(cccc1)c1F)NCc1cc(F)ccc1

InChI

InChI=1S/C27H26F2N4O/c28-22-8-5-6-19(16-22)17-30-26(34)20-12-14-32(15-13-20)27-31-24-10-3-4-11-25(24)33(27)18-21-7-1-2-9-23(21)29/h1-11,16,20H,12-15,17-18H2,(H,30,34)

InChI Key

UTKZPHMSNNEUQP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14798114

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.53

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

5.320

Distribution Coefficient, logD

5.315

Water Solubility, LogSw

-5.61

Polar Surface Area

37.574

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

5.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

C797-0468 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

PI3K-Targeted Library (17255 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous 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 C797-0468 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C797-0468?
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What is the minimum amount of C797-0468 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C797-0468
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C797-0468
  • 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 C797-0468 available by request