6738-0051 Screening compound: 1-{2-imino-3-[2-(piperidin-1-yl)ethyl]-2,3-dihydro-1H-1,3-benzodiazol-1-yl}-3-(3-methylphenoxy)propan-2-ol

6738-0051 Screening compound: 1-{2-imino-3-[2-(piperidin-1-yl)ethyl]-2,3-dihydro-1H-1,3-benzodiazol-1-yl}-3-(3-methylphenoxy)propan-2-ol
6738-0051 Screening compound: 1-{2-imino-3-[2-(piperidin-1-yl)ethyl]-2,3-dihydro-1H-1,3-benzodiazol-1-yl}-3-(3-methylphenoxy)propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 6738-0051
1-{2-imino-3-[2-(piperidin-1-yl)ethyl]-2,3-dihydro-1H-1,3-benzodiazol-1-yl}-3-(3-methylphenoxy)propan-2-ol

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

6738-0051

Molecular Formula

C24H32N4O2 (C24 H32 N4 O2)

Compound Name

1-{2-imino-3-[2-(piperidin-1-yl)ethyl]-2,3-dihydro-1H-1,3-benzodiazol-1-yl}-3-(3-methylphenoxy)propan-2-ol

IUPAC name

1-{2-imino-3-[2-(piperidin-1-yl)ethyl]-23-dihydro-1H-13-benzodiazol-1-yl}-3-(3-methylphenoxy)propan-2-ol

SMILES

Cc1cccc(OCC(CN(c(cccc2)c2N2CCN3CCCCC3)C2=N)O)c1

InChI

InChI=1S/C24H32N4O2/c1-19-8-7-9-21(16-19)30-18-20(29)17-28-23-11-4-3-10-22(23)27(24(28)25)15-14-26-12-5-2-6-13-26/h3-4,7-11,16,20,25,29H,2,5-6,12-15,17-18H2,1H3/t20-/m0/s1

InChI Key

DDXGBMILSYHELN-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD04031636

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

408.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.989

Distribution Coefficient, logD

1.444

Water Solubility, LogSw

-4.03

Polar Surface Area

49.662

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

9.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.80

6738-0051 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6738-0051 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6738-0051?
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What is the minimum amount of 6738-0051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6738-0051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6738-0051
  • 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 6738-0051 available by request