8016-9022 Screening compound: 1-(4-ethoxy-3-methoxybenzyl)-2-(4-ethoxy-3-methoxyphenyl)-1H-1,3-benzimidazole

8016-9022 Screening compound: 1-(4-ethoxy-3-methoxybenzyl)-2-(4-ethoxy-3-methoxyphenyl)-1H-1,3-benzimidazole
8016-9022 Screening compound: 1-(4-ethoxy-3-methoxybenzyl)-2-(4-ethoxy-3-methoxyphenyl)-1H-1,3-benzimidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-9022
1-(4-ethoxy-3-methoxybenzyl)-2-(4-ethoxy-3-methoxyphenyl)-1H-1,3-benzimidazole

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

8016-9022

Molecular Formula

C26H28N2O4 (C26 H28 N2 O4)

Compound Name

1-(4-ethoxy-3-methoxybenzyl)-2-(4-ethoxy-3-methoxyphenyl)-1H-1,3-benzimidazole

IUPAC name

2-(4-ethoxy-3-methoxyphenyl)-1-[(4-ethoxy-3-methoxyphenyl)methyl]-1H-13-benzodiazole

SMILES

CCOc(ccc(Cn1c(-c(cc2)cc(OC)c2OCC)nc2c1cccc2)c1)c1OC

InChI

InChI=1S/C26H28N2O4/c1-5-31-22-13-11-18(15-24(22)29-3)17-28-21-10-8-7-9-20(21)27-26(28)19-12-14-23(32-6-2)25(16-19)30-4/h7-16H,5-6,17H2,1-4H3

InChI Key

OJTAHOOLRLSBOG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05860146

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.338

Distribution Coefficient, logD

5.310

Water Solubility, LogSw

-5.46

Polar Surface Area

39.577

Acid Dissociation Constant (pKa)

21.61

Base Dissociation Constant (pKb)

6.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.92

8016-9022 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8016-9022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-9022?
Check Price and Availability of 8016-9022, 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 8016-9022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-9022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-9022
  • 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 8016-9022 available by request