C797-0298 Screening compound: 2-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1H-1,3-benzodiazole

C797-0298 Screening compound: 2-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1H-1,3-benzodiazole
C797-0298 Screening compound: 2-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C797-0298
2-[4-(4-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

C797-0298

Molecular Formula

C19H26N4O (C19 H26 N4 O)

Compound Name

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

IUPAC name

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

SMILES

CC(CC1)CCN1C(C(CC1)CCN1c1nc(cccc2)c2[nH]1)=O

InChI

InChI=1S/C19H26N4O/c1-14-6-10-22(11-7-14)18(24)15-8-12-23(13-9-15)19-20-16-4-2-3-5-17(16)21-19/h2-5,14-15H,6-13H2,1H3,(H,20,21)

InChI Key

NGHLBHGVGLZFGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14797984

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.44

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.860

Distribution Coefficient, logD

2.828

Water Solubility, LogSw

-3.11

Polar Surface Area

38.557

Acid Dissociation Constant (pKa)

14.59

Base Dissociation Constant (pKb)

6.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.90

C797-0298 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with C797-0298 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C797-0298?
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What is the minimum amount of C797-0298 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C797-0298
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C797-0298
  • 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 C797-0298 available by request