0254-0537 Screening compound: 1,5-dimethyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2,4-dione

0254-0537 Screening compound: 1,5-dimethyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2,4-dione
0254-0537 Screening compound: 1,5-dimethyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 0254-0537
1,5-dimethyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2,4-dione

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

0254-0537

Molecular Formula

C11H12N2O2 (C11 H12 N2 O2)

Compound Name

1,5-dimethyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2,4-dione

IUPAC name

15-dimethyl-2345-tetrahydro-1H-15-benzodiazepine-24-dione

SMILES

CN(c(cccc1)c1N(C)C(C1)=O)C1=O

InChI

InChI=1S/C11H12N2O2/c1-12-8-5-3-4-6-9(8)13(2)11(15)7-10(12)14/h3-6H,7H2,1-2H3

InChI Key

NUWQUSHVVHUQGD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00552888

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

204.23

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.320

Distribution Coefficient, logD

0.320

Water Solubility, LogSw

-1.32

Polar Surface Area

31.484

Acid Dissociation Constant (pKa)

12.71

Base Dissociation Constant (pKb)

-1.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

0254-0537 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Fragments Library (11262 compounds)

Frequent Hitters Library (7624 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Structure:
  • Fragments
  • Pool

References: we are preparing a list of scientific research reports with 0254-0537 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0254-0537?
Check Price and Availability of 0254-0537, 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 0254-0537 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0254-0537
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0254-0537
  • 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 0254-0537 available by request