4491-0479 Screening compound: 2,4-dimethyl-1H-1,5-benzodiazepine

4491-0479 Screening compound: 2,4-dimethyl-1H-1,5-benzodiazepine
4491-0479 Screening compound: 2,4-dimethyl-1H-1,5-benzodiazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4491-0479
2,4-dimethyl-1H-1,5-benzodiazepine

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

4491-0479

Molecular Formula

C11H12N2 (C11 H12 N2)

Compound Name

2,4-dimethyl-1H-1,5-benzodiazepine

IUPAC name

24-dimethyl-1H-15-benzodiazepine

SMILES

CC1=Nc(cccc2)c2NC(C)=C1

InChI

InChI=1S/C11H12N2/c1-8-7-9(2)13-11-6-4-3-5-10(11)12-8/h3-7,12H,1-2H3

InChI Key

GRSQZGQYBQLHAW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00636395

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

172.23

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

2.378

Distribution Coefficient, logD

2.374

Water Solubility, LogSw

-2.34

Polar Surface Area

19.594

Acid Dissociation Constant (pKa)

12.03

Base Dissociation Constant (pKb)

5.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.18

4491-0479 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4491-0479 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4491-0479?
Check Price and Availability of 4491-0479, 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 4491-0479 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4491-0479
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4491-0479
  • 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 4491-0479 available by request