D011-5055 Screening compound: 2-(3-methylphenyl)-1-(2-methylpropyl)-1H-1,3-benzodiazole

D011-5055 Screening compound: 2-(3-methylphenyl)-1-(2-methylpropyl)-1H-1,3-benzodiazole
D011-5055 Screening compound: 2-(3-methylphenyl)-1-(2-methylpropyl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D011-5055
2-(3-methylphenyl)-1-(2-methylpropyl)-1H-1,3-benzodiazole

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

D011-5055

Molecular Formula

C18H20N2 (C18 H20 N2)

Compound Name

2-(3-methylphenyl)-1-(2-methylpropyl)-1H-1,3-benzodiazole

IUPAC name

2-(3-methylphenyl)-1-(2-methylpropyl)-1H-13-benzodiazole

SMILES

CC(C)Cn1c(-c2cc(C)ccc2)nc2c1cccc2

InChI

InChI=1S/C18H20N2/c1-13(2)12-20-17-10-5-4-9-16(17)19-18(20)15-8-6-7-14(3)11-15/h4-11,13H,12H2,1-3H3

InChI Key

QYNVWLKDILLLHG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13855350

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

264.37

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.550

Distribution Coefficient, logD

5.549

Water Solubility, LogSw

-5.68

Polar Surface Area

10.167

Acid Dissociation Constant (pKa)

23.84

Base Dissociation Constant (pKb)

4.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

D011-5055 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D011-5055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D011-5055?
Check Price and Availability of D011-5055, 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 D011-5055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D011-5055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D011-5055
  • 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 D011-5055 available by request