5326-0745 Screening compound: 1-(2-imino-3-methyl-2,3-dihydro-1H-1,3-benzodiazol-1-yl)-3-(4-methoxyphenoxy)propan-2-ol

5326-0745 Screening compound: 1-(2-imino-3-methyl-2,3-dihydro-1H-1,3-benzodiazol-1-yl)-3-(4-methoxyphenoxy)propan-2-ol
5326-0745 Screening compound: 1-(2-imino-3-methyl-2,3-dihydro-1H-1,3-benzodiazol-1-yl)-3-(4-methoxyphenoxy)propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 5326-0745
1-(2-imino-3-methyl-2,3-dihydro-1H-1,3-benzodiazol-1-yl)-3-(4-methoxyphenoxy)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

5326-0745

Molecular Formula

C18H21N3O3 (C18 H21 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

CN(c(cccc1)c1N1CC(COc(cc2)ccc2OC)O)C1=N

InChI

InChI=1S/C18H21N3O3/c1-20-16-5-3-4-6-17(16)21(18(20)19)11-13(22)12-24-15-9-7-14(23-2)8-10-15/h3-10,13,19,22H,11-12H2,1-2H3/t13-/m0/s1

InChI Key

KLQZVKCCWUEBLF-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD03293712

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

327.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.583

Distribution Coefficient, logD

2.206

Water Solubility, LogSw

-2.68

Polar Surface Area

53.282

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

7.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

5326-0745 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 5326-0745 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5326-0745?
Check Price and Availability of 5326-0745, 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 5326-0745 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5326-0745
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5326-0745
  • 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 5326-0745 available by request