C797-0696 Screening compound: 1-[(3-fluorophenyl)methyl]-2-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-1H-1,3-benzodiazole

C797-0696 Screening compound: 1-[(3-fluorophenyl)methyl]-2-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-1H-1,3-benzodiazole
C797-0696 Screening compound: 1-[(3-fluorophenyl)methyl]-2-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C797-0696
1-[(3-fluorophenyl)methyl]-2-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-1H-1,3-benzodiazole

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

C797-0696

Molecular Formula

C26H31FN4O (C26 H31 FN4 O)

Compound Name

1-[(3-fluorophenyl)methyl]-2-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-1H-1,3-benzodiazole

IUPAC name

1-[(3-fluorophenyl)methyl]-2-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-1H-13-benzodiazole

SMILES

CC(CCC1)CN1C(C(CC1)CCN1c1nc(cccc2)c2n1Cc1cccc(F)c1)=O

InChI

InChI=1S/C26H31FN4O/c1-19-6-5-13-30(17-19)25(32)21-11-14-29(15-12-21)26-28-23-9-2-3-10-24(23)31(26)18-20-7-4-8-22(27)16-20/h2-4,7-10,16,19,21H,5-6,11-15,17-18H2,1H3/t19-/m0/s1

InChI Key

OJEQHEKZAPERQZ-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14798291

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.56

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.229

Distribution Coefficient, logD

5.213

Water Solubility, LogSw

-4.99

Polar Surface Area

29.742

Acid Dissociation Constant (pKa)

21.91

Base Dissociation Constant (pKb)

5.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.20

C797-0696 in Drug Discovery

Included in Screening Libraries

Nucleic Acid Ligands (8311 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
  • 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 C797-0696 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C797-0696?
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What is the minimum amount of C797-0696 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C797-0696
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C797-0696
  • 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 C797-0696 available by request