D305-1858 Screening compound: N-{1-butyl-2-[(pyrrolidin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}-3-methylbenzamide

D305-1858 Screening compound: N-{1-butyl-2-[(pyrrolidin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}-3-methylbenzamide
D305-1858 Screening compound: N-{1-butyl-2-[(pyrrolidin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}-3-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D305-1858
N-{1-butyl-2-[(pyrrolidin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}-3-methylbenzamide

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

D305-1858

Molecular Formula

C24H30N4O (C24 H30 N4 O)

Compound Name

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

IUPAC name

N-{1-butyl-2-[(pyrrolidin-1-yl)methyl]-1H-13-benzodiazol-5-yl}-3-methylbenzamide

SMILES

CCCCn1c(ccc(NC(c2cc(C)ccc2)=O)c2)c2nc1CN1CCCC1

InChI

InChI=1S/C24H30N4O/c1-3-4-14-28-22-11-10-20(25-24(29)19-9-7-8-18(2)15-19)16-21(22)26-23(28)17-27-12-5-6-13-27/h7-11,15-16H,3-6,12-14,17H2,1-2H3,(H,25,29)

InChI Key

QYYHWXIUILPKSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27580041

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.53

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

4.810

Distribution Coefficient, logD

3.864

Water Solubility, LogSw

-4.40

Polar Surface Area

38.583

Acid Dissociation Constant (pKa)

10.45

Base Dissociation Constant (pKb)

8.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

D305-1858 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with D305-1858 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D305-1858?
Check Price and Availability of D305-1858, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D305-1858 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D305-1858
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D305-1858
  • 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 D305-1858 available by request