3260-0392 Screening compound: 2-{3-[(4-tert-butylphenyl)methyl]-2-imino-2,3-dihydro-1H-1,3-benzodiazol-1-yl}ethan-1-ol

3260-0392 Screening compound: 2-{3-[(4-tert-butylphenyl)methyl]-2-imino-2,3-dihydro-1H-1,3-benzodiazol-1-yl}ethan-1-ol
3260-0392 Screening compound: 2-{3-[(4-tert-butylphenyl)methyl]-2-imino-2,3-dihydro-1H-1,3-benzodiazol-1-yl}ethan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 3260-0392
2-{3-[(4-tert-butylphenyl)methyl]-2-imino-2,3-dihydro-1H-1,3-benzodiazol-1-yl}ethan-1-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

3260-0392

Molecular Formula

C20H25N3O (C20 H25 N3 O)

Compound Name

2-{3-[(4-tert-butylphenyl)methyl]-2-imino-2,3-dihydro-1H-1,3-benzodiazol-1-yl}ethan-1-ol

IUPAC name

2-{3-[(4-tert-butylphenyl)methyl]-2-imino-23-dihydro-1H-13-benzodiazol-1-yl}ethan-1-ol

SMILES

CC(C)(C)c1ccc(CN(c(cccc2)c2N2CCO)C2=N)cc1

InChI

InChI=1S/C20H25N3O/c1-20(2,3)16-10-8-15(9-11-16)14-23-18-7-5-4-6-17(18)22(12-13-24)19(23)21/h4-11,21,24H,12-14H2,1-3H3

InChI Key

HBCSFGJQHHHLJH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01051261

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

323.44

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.271

Distribution Coefficient, logD

3.650

Water Solubility, LogSw

-4.03

Polar Surface Area

38.488

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

7.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

3260-0392 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 3260-0392 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3260-0392?
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What is the minimum amount of 3260-0392 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3260-0392
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3260-0392
  • 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 3260-0392 available by request