3260-0419 Screening compound: 1-{2-imino-3-[2-(morpholin-4-yl)ethyl]-2,3-dihydro-1H-1,3-benzodiazol-1-yl}-3-phenoxypropan-2-ol

3260-0419 Screening compound: 1-{2-imino-3-[2-(morpholin-4-yl)ethyl]-2,3-dihydro-1H-1,3-benzodiazol-1-yl}-3-phenoxypropan-2-ol
3260-0419 Screening compound: 1-{2-imino-3-[2-(morpholin-4-yl)ethyl]-2,3-dihydro-1H-1,3-benzodiazol-1-yl}-3-phenoxypropan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 3260-0419
1-{2-imino-3-[2-(morpholin-4-yl)ethyl]-2,3-dihydro-1H-1,3-benzodiazol-1-yl}-3-phenoxypropan-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

3260-0419

Molecular Formula

C22H28N4O3 (C22 H28 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

N=C1N(CC(COc2ccccc2)O)c(cccc2)c2N1CCN1CCOCC1

InChI

InChI=1S/C22H28N4O3/c23-22-25(11-10-24-12-14-28-15-13-24)20-8-4-5-9-21(20)26(22)16-18(27)17-29-19-6-2-1-3-7-19/h1-9,18,23,27H,10-17H2/t18-/m0/s1

InChI Key

NJNLMJXTBXKHHX-SFHVURJKSA-N

MDL Number (MFCD)

MFCD01055132

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

396.49

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

2.362

Distribution Coefficient, logD

2.004

Water Solubility, LogSw

-2.42

Polar Surface Area

57.571

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

7.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

3260-0419 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 3260-0419 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3260-0419?
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What is the minimum amount of 3260-0419 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3260-0419
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3260-0419
  • 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 3260-0419 available by request