6738-0026 Screening compound: 1-(3-hexyl-2-imino-2,3-dihydro-1H-1,3-benzodiazol-1-yl)-3-(2-methylphenoxy)propan-2-ol

6738-0026 Screening compound: 1-(3-hexyl-2-imino-2,3-dihydro-1H-1,3-benzodiazol-1-yl)-3-(2-methylphenoxy)propan-2-ol
6738-0026 Screening compound: 1-(3-hexyl-2-imino-2,3-dihydro-1H-1,3-benzodiazol-1-yl)-3-(2-methylphenoxy)propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 6738-0026
1-(3-hexyl-2-imino-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

6738-0026

Molecular Formula

C23H31N3O2 (C23 H31 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

CCCCCCN(c(cccc1)c1N1CC(COc2c(C)cccc2)O)C1=N

InChI

InChI=1S/C23H31N3O2/c1-3-4-5-10-15-25-20-12-7-8-13-21(20)26(23(25)24)16-19(27)17-28-22-14-9-6-11-18(22)2/h6-9,11-14,19,24,27H,3-5,10,15-17H2,1-2H3/t19-/m0/s1

InChI Key

XLQFVCZPNMDCBX-IBGZPJMESA-N

MDL Number (MFCD)

MFCD11855399

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

381.52

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.825

Distribution Coefficient, logD

5.739

Water Solubility, LogSw

-5.41

Polar Surface Area

46.038

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

6.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.50

6738-0026 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6738-0026 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6738-0026?
Check Price and Availability of 6738-0026, 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 6738-0026 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6738-0026
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6738-0026
  • 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 6738-0026 available by request