4183-0065 Screening compound: 3-{1-[(4-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}propan-1-ol

4183-0065 Screening compound: 3-{1-[(4-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}propan-1-ol
4183-0065 Screening compound: 3-{1-[(4-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}propan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4183-0065
3-{1-[(4-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}propan-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

4183-0065

Molecular Formula

C18H20N2O (C18 H20 N2 O)

Compound Name

3-{1-[(4-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}propan-1-ol

IUPAC name

3-{1-[(4-methylphenyl)methyl]-1H-13-benzodiazol-2-yl}propan-1-ol

SMILES

Cc1ccc(Cn2c(cccc3)c3nc2CCCO)cc1

InChI

InChI=1S/C18H20N2O/c1-14-8-10-15(11-9-14)13-20-17-6-3-2-5-16(17)19-18(20)7-4-12-21/h2-3,5-6,8-11,21H,4,7,12-13H2,1H3

InChI Key

GKSFXQREGVIIDB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02858830

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

280.37

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.420

Distribution Coefficient, logD

3.416

Water Solubility, LogSw

-3.16

Polar Surface Area

27.799

Acid Dissociation Constant (pKa)

15.93

Base Dissociation Constant (pKb)

5.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

4183-0065 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

CNS BBB Library (22607 compounds)

Cardiovascular Library (22201 compounds)

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Immune system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 4183-0065 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4183-0065?
Check Price and Availability of 4183-0065, 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 4183-0065 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4183-0065
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4183-0065
  • 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 4183-0065 available by request