D073-0346 Screening compound: N-{1-methyl-2-[(pyrrolidin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}cyclohexanecarboxamide

D073-0346 Screening compound: N-{1-methyl-2-[(pyrrolidin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}cyclohexanecarboxamide
D073-0346 Screening compound: N-{1-methyl-2-[(pyrrolidin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D073-0346
N-{1-methyl-2-[(pyrrolidin-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

D073-0346

Molecular Formula

C20H28N4O (C20 H28 N4 O)

Compound Name

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

IUPAC name

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

SMILES

Cn1c(ccc(NC(C2CCCCC2)=O)c2)c2nc1CN1CCCC1

InChI

InChI=1S/C20H28N4O/c1-23-18-10-9-16(21-20(25)15-7-3-2-4-8-15)13-17(18)22-19(23)14-24-11-5-6-12-24/h9-10,13,15H,2-8,11-12,14H2,1H3,(H,21,25)

InChI Key

HPLOEPAQBIUCCO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06006515

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.027

Distribution Coefficient, logD

2.548

Water Solubility, LogSw

-3.22

Polar Surface Area

39.607

Acid Dissociation Constant (pKa)

11.85

Base Dissociation Constant (pKb)

7.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

D073-0346 in Drug Discovery

Included in Screening Libraries

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

Dark Chemical Matter Library (18430 compounds)

GPCR Targeted Library (31838 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D073-0346 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D073-0346?
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What is the minimum amount of D073-0346 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D073-0346
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D073-0346
  • 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 D073-0346 available by request