6738-0015 Screening compound: 1-(2-imino-3-pentyl-2,3-dihydro-1H-1,3-benzodiazol-1-yl)-3-(3-methylphenoxy)propan-2-ol

6738-0015 Screening compound: 1-(2-imino-3-pentyl-2,3-dihydro-1H-1,3-benzodiazol-1-yl)-3-(3-methylphenoxy)propan-2-ol
6738-0015 Screening compound: 1-(2-imino-3-pentyl-2,3-dihydro-1H-1,3-benzodiazol-1-yl)-3-(3-methylphenoxy)propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 6738-0015
1-(2-imino-3-pentyl-2,3-dihydro-1H-1,3-benzodiazol-1-yl)-3-(3-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

6738-0015

Molecular Formula

C22H29N3O2 (C22 H29 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

CCCCCN(c(cccc1)c1N1CC(COc2cc(C)ccc2)O)C1=N

InChI

InChI=1S/C22H29N3O2/c1-3-4-7-13-24-20-11-5-6-12-21(20)25(22(24)23)15-18(26)16-27-19-10-8-9-17(2)14-19/h5-6,8-12,14,18,23,26H,3-4,7,13,15-16H2,1-2H3/t18-/m0/s1

InChI Key

FZFXKVXUQPPZJU-SFHVURJKSA-N

MDL Number (MFCD)

MFCD04022579

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

367.49

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.222

Distribution Coefficient, logD

5.135

Water Solubility, LogSw

-4.91

Polar Surface Area

45.951

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

6.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

6738-0015 in Drug Discovery

Included in Screening Libraries

Human Kinases Annotated Library (2415 compounds)

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 6738-0015 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6738-0015?
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What is the minimum amount of 6738-0015 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6738-0015
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6738-0015
  • 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 6738-0015 available by request