Y042-2808 Screening compound: 2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-2,5-dione

Y042-2808 Screening compound: 2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-2,5-dione
Y042-2808 Screening compound: 2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-2808
2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-2,5-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

Y042-2808

Molecular Formula

C9H8N2O2 (C9 H8 N2 O2)

Compound Name

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

IUPAC name

2345-tetrahydro-1H-14-benzodiazepine-25-dione

SMILES

O=C(CN1)Nc(cccc2)c2C1=O

InChI

InChI=1S/C9H8N2O2/c12-8-5-10-9(13)6-3-1-2-4-7(6)11-8/h1-4H,5H2,(H,10,13)(H,11,12)

InChI Key

AZHGGDCFQPMANU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00111349

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

176.17

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.702

Distribution Coefficient, logD

0.698

Water Solubility, LogSw

-2.27

Polar Surface Area

50.402

Acid Dissociation Constant (pKa)

9.46

Base Dissociation Constant (pKb)

-1.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.11

Y042-2808 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 Y042-2808 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-2808?
Check Price and Availability of Y042-2808, 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 Y042-2808 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-2808
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-2808
  • 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 Y042-2808 available by request