0375-0473 Screening compound: 2-octyl-1H-1,3-benzodiazole

0375-0473 Screening compound: 2-octyl-1H-1,3-benzodiazole
0375-0473 Screening compound: 2-octyl-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 0375-0473
2-octyl-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

0375-0473

Molecular Formula

C15H22N2 (C15 H22 N2)

Compound Name

2-octyl-1H-1,3-benzodiazole

IUPAC name

2-octyl-1H-13-benzodiazole

SMILES

CCCCCCCCc1nc(cccc2)c2[nH]1

InChI

InChI=1S/C15H22N2/c1-2-3-4-5-6-7-12-15-16-13-10-8-9-11-14(13)17-15/h8-11H,2-7,12H2,1H3,(H,16,17)

InChI Key

IRMWQHINYNTMNS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00441310

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

230.35

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.435

Distribution Coefficient, logD

5.390

Water Solubility, LogSw

-5.43

Polar Surface Area

20.520

Acid Dissociation Constant (pKa)

13.54

Base Dissociation Constant (pKb)

6.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.30

0375-0473 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0375-0473 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0375-0473?
Check Price and Availability of 0375-0473, 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 0375-0473 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0375-0473
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0375-0473
  • 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 0375-0473 available by request