5326-0744 Screening compound: 1-(2-imino-3-methyl-2,3-dihydro-1H-1,3-benzodiazol-1-yl)-3-(4-methylphenoxy)propan-2-ol

5326-0744 Screening compound: 1-(2-imino-3-methyl-2,3-dihydro-1H-1,3-benzodiazol-1-yl)-3-(4-methylphenoxy)propan-2-ol
5326-0744 Screening compound: 1-(2-imino-3-methyl-2,3-dihydro-1H-1,3-benzodiazol-1-yl)-3-(4-methylphenoxy)propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 5326-0744
1-(2-imino-3-methyl-2,3-dihydro-1H-1,3-benzodiazol-1-yl)-3-(4-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

5326-0744

Molecular Formula

C18H21N3O2 (C18 H21 N3 O2)

Compound Name

1-(2-imino-3-methyl-2,3-dihydro-1H-1,3-benzodiazol-1-yl)-3-(4-methylphenoxy)propan-2-ol

IUPAC name

1-(2-imino-3-methyl-23-dihydro-1H-13-benzodiazol-1-yl)-3-(4-methylphenoxy)propan-2-ol

SMILES

Cc(cc1)ccc1OCC(CN(c(cccc1)c1N1C)C1=N)O

InChI

InChI=1S/C18H21N3O2/c1-13-7-9-15(10-8-13)23-12-14(22)11-21-17-6-4-3-5-16(17)20(2)18(21)19/h3-10,14,19,22H,11-12H2,1-2H3/t14-/m0/s1

InChI Key

KHMZSSBPDQTQBW-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD03302698

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

311.38

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.024

Distribution Coefficient, logD

2.647

Water Solubility, LogSw

-3.19

Polar Surface Area

45.738

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

7.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

5326-0744 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 5326-0744 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5326-0744?
Check Price and Availability of 5326-0744, 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 5326-0744 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5326-0744
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5326-0744
  • 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 5326-0744 available by request