D011-4454 Screening compound: {1-[(2,4,6-trimethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}methanol

D011-4454 Screening compound: {1-[(2,4,6-trimethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}methanol
D011-4454 Screening compound: {1-[(2,4,6-trimethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound D011-4454
{1-[(2,4,6-trimethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}methanol

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

D011-4454

Molecular Formula

C18H20N2O (C18 H20 N2 O)

Compound Name

{1-[(2,4,6-trimethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}methanol

IUPAC name

{1-[(246-trimethylphenyl)methyl]-1H-13-benzodiazol-2-yl}methanol

SMILES

Cc1cc(C)c(Cn2c(cccc3)c3nc2CO)c(C)c1

InChI

InChI=1S/C18H20N2O/c1-12-8-13(2)15(14(3)9-12)10-20-17-7-5-4-6-16(17)19-18(20)11-21/h4-9,21H,10-11H2,1-3H3

InChI Key

JNOUODXFNQRSGU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04218396

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

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.330

Distribution Coefficient, logD

4.215

Water Solubility, LogSw

-4.44

Polar Surface Area

28.258

Acid Dissociation Constant (pKa)

14.71

Base Dissociation Constant (pKb)

6.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

D011-4454 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular

References: we are preparing a list of scientific research reports with D011-4454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D011-4454?
Check Price and Availability of D011-4454, 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 D011-4454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D011-4454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D011-4454
  • 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 D011-4454 available by request