6738-0052 Screening compound: 1-{2-imino-3-[2-(morpholin-4-yl)ethyl]-2,3-dihydro-1H-1,3-benzodiazol-1-yl}-3-(2-methylphenoxy)propan-2-ol

6738-0052 Screening compound: 1-{2-imino-3-[2-(morpholin-4-yl)ethyl]-2,3-dihydro-1H-1,3-benzodiazol-1-yl}-3-(2-methylphenoxy)propan-2-ol
6738-0052 Screening compound: 1-{2-imino-3-[2-(morpholin-4-yl)ethyl]-2,3-dihydro-1H-1,3-benzodiazol-1-yl}-3-(2-methylphenoxy)propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 6738-0052
1-{2-imino-3-[2-(morpholin-4-yl)ethyl]-2,3-dihydro-1H-1,3-benzodiazol-1-yl}-3-(2-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

6738-0052

Molecular Formula

C23H30N4O3 (C23 H30 N4 O3)

Compound Name

1-{2-imino-3-[2-(morpholin-4-yl)ethyl]-2,3-dihydro-1H-1,3-benzodiazol-1-yl}-3-(2-methylphenoxy)propan-2-ol

IUPAC name

1-{2-imino-3-[2-(morpholin-4-yl)ethyl]-23-dihydro-1H-13-benzodiazol-1-yl}-3-(2-methylphenoxy)propan-2-ol

SMILES

Cc(cccc1)c1OCC(CN(c(cccc1)c1N1CCN2CCOCC2)C1=N)O

InChI

InChI=1S/C23H30N4O3/c1-18-6-2-5-9-22(18)30-17-19(28)16-27-21-8-4-3-7-20(21)26(23(27)24)11-10-25-12-14-29-15-13-25/h2-9,19,24,28H,10-17H2,1H3/t19-/m0/s1

InChI Key

BNLJCHZXULDCKX-IBGZPJMESA-N

MDL Number (MFCD)

MFCD04023677

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

410.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.990

Distribution Coefficient, logD

2.631

Water Solubility, LogSw

-3.13

Polar Surface Area

57.657

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

7.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.50

6738-0052 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Autophagy-Targeted Library (4564 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system

References: we are preparing a list of scientific research reports with 6738-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6738-0052?
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What is the minimum amount of 6738-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6738-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6738-0052
  • 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 6738-0052 available by request