8017-4037 Screening compound: 5-methoxy-2-phenyl-1H-1,3-benzimidazole

8017-4037 Screening compound: 5-methoxy-2-phenyl-1H-1,3-benzimidazole
8017-4037 Screening compound: 5-methoxy-2-phenyl-1H-1,3-benzimidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-4037
5-methoxy-2-phenyl-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

8017-4037

Molecular Formula

C14H12N2O (C14 H12 N2 O)

Compound Name

5-methoxy-2-phenyl-1H-1,3-benzimidazole

IUPAC name

5-methoxy-2-phenyl-1H-13-benzodiazole

SMILES

COc(cc1)cc2c1[nH]c(-c1ccccc1)n2

InChI

InChI=1S/C14H12N2O/c1-17-11-7-8-12-13(9-11)16-14(15-12)10-5-3-2-4-6-10/h2-9H,1H3,(H,15,16)

InChI Key

SMHBLCFXCWISPZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00626344

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

224.26

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.458

Distribution Coefficient, logD

3.452

Water Solubility, LogSw

-3.80

Polar Surface Area

26.802

Acid Dissociation Constant (pKa)

10.73

Base Dissociation Constant (pKb)

5.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.14

8017-4037 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

CNS Targets (44014 compounds)

Human Receptors Annotated Library (5376 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 8017-4037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-4037?
Check Price and Availability of 8017-4037, 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 8017-4037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-4037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-4037
  • 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 8017-4037 available by request