5326-0767 Screening compound: 1-(2,4-dichlorophenoxy)-3-{2-imino-3-[2-(morpholin-4-yl)ethyl]-2,3-dihydro-1H-1,3-benzodiazol-1-yl}propan-2-ol

5326-0767 Screening compound: 1-(2,4-dichlorophenoxy)-3-{2-imino-3-[2-(morpholin-4-yl)ethyl]-2,3-dihydro-1H-1,3-benzodiazol-1-yl}propan-2-ol
5326-0767 Screening compound: 1-(2,4-dichlorophenoxy)-3-{2-imino-3-[2-(morpholin-4-yl)ethyl]-2,3-dihydro-1H-1,3-benzodiazol-1-yl}propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 5326-0767
1-(2,4-dichlorophenoxy)-3-{2-imino-3-[2-(morpholin-4-yl)ethyl]-2,3-dihydro-1H-1,3-benzodiazol-1-yl}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

5326-0767

Molecular Formula

C22H26Cl2N4O3 (C22 H26 Cl2 N4 O3)

Compound Name

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

IUPAC name

1-(24-dichlorophenoxy)-3-{2-imino-3-[2-(morpholin-4-yl)ethyl]-23-dihydro-1H-13-benzodiazol-1-yl}propan-2-ol

SMILES

N=C1N(CC(COc(ccc(Cl)c2)c2Cl)O)c(cccc2)c2N1CCN1CCOCC1

InChI

InChI=1S/C22H26Cl2N4O3/c23-16-5-6-21(18(24)13-16)31-15-17(29)14-28-20-4-2-1-3-19(20)27(22(28)25)8-7-26-9-11-30-12-10-26/h1-6,13,17,25,29H,7-12,14-15H2/t17-/m0/s1

InChI Key

YKCJQTODYXVWGP-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD03300164

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

465.38

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

3.523

Distribution Coefficient, logD

3.164

Water Solubility, LogSw

-3.51

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

40.90

5326-0767 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5326-0767 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5326-0767?
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What is the minimum amount of 5326-0767 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5326-0767
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5326-0767
  • 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 5326-0767 available by request