8010-4974 Screening compound: 1-benzyl-2-(chloromethyl)-1H-1,3-benzodiazole

8010-4974 Screening compound: 1-benzyl-2-(chloromethyl)-1H-1,3-benzodiazole
8010-4974 Screening compound: 1-benzyl-2-(chloromethyl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-4974
1-benzyl-2-(chloromethyl)-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

8010-4974

Molecular Formula

C15H13ClN2 (C15 H13 ClN2)

Compound Name

1-benzyl-2-(chloromethyl)-1H-1,3-benzodiazole

IUPAC name

1-benzyl-2-(chloromethyl)-1H-13-benzodiazole

SMILES

ClCc1nc(cccc2)c2n1Cc1ccccc1

InChI

InChI=1S/C15H13ClN2/c16-10-15-17-13-8-4-5-9-14(13)18(15)11-12-6-2-1-3-7-12/h1-9H,10-11H2

InChI Key

AIEZSIAPQGBFRC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01163836

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

256.73

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

3.940

Distribution Coefficient, logD

3.939

Water Solubility, LogSw

-4.08

Polar Surface Area

11.143

Acid Dissociation Constant (pKa)

22.60

Base Dissociation Constant (pKb)

4.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

8010-4974 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

KRAS-Targeted Library (16000 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8010-4974 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-4974?
Check Price and Availability of 8010-4974, 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 8010-4974 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-4974
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-4974
  • 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 8010-4974 available by request