D305-1506 Screening compound: N-{1-butyl-2-[(4-methylpiperidin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}cyclohexanecarboxamide

D305-1506 Screening compound: N-{1-butyl-2-[(4-methylpiperidin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}cyclohexanecarboxamide
D305-1506 Screening compound: N-{1-butyl-2-[(4-methylpiperidin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D305-1506
N-{1-butyl-2-[(4-methylpiperidin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}cyclohexanecarboxamide

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

D305-1506

Molecular Formula

C25H38N4O (C25 H38 N4 O)

Compound Name

N-{1-butyl-2-[(4-methylpiperidin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}cyclohexanecarboxamide

IUPAC name

N-{1-butyl-2-[(4-methylpiperidin-1-yl)methyl]-1H-13-benzodiazol-5-yl}cyclohexanecarboxamide

SMILES

CCCCn1c(ccc(NC(C2CCCCC2)=O)c2)c2nc1CN1CCC(C)CC1

InChI

InChI=1S/C25H38N4O/c1-3-4-14-29-23-11-10-21(26-25(30)20-8-6-5-7-9-20)17-22(23)27-24(29)18-28-15-12-19(2)13-16-28/h10-11,17,19-20H,3-9,12-16,18H2,1-2H3,(H,26,30)

InChI Key

ZPKBXNWWLCNWOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27579916

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.6

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.313

Distribution Coefficient, logD

4.823

Water Solubility, LogSw

-5.18

Polar Surface Area

38.409

Acid Dissociation Constant (pKa)

11.85

Base Dissociation Constant (pKb)

7.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.00

D305-1506 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS BBB Library (22607 compounds)

GABA Library (7115 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D305-1506 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D305-1506?
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What is the minimum amount of D305-1506 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D305-1506
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D305-1506
  • 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 D305-1506 available by request