Y042-7711 Screening compound: 3-benzyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-2,5-dione

Y042-7711 Screening compound: 3-benzyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-2,5-dione
Y042-7711 Screening compound: 3-benzyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-7711
3-benzyl-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

Y042-7711

Molecular Formula

C16H14N2O2 (C16 H14 N2 O2)

Compound Name

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

IUPAC name

(3R)-3-benzyl-2345-tetrahydro-1H-14-benzodiazepine-25-dione

SMILES

O=C(C(Cc1ccccc1)N1)Nc(cccc2)c2C1=O

InChI

InChI=1S/C16H14N2O2/c19-15-12-8-4-5-9-13(12)17-16(20)14(18-15)10-11-6-2-1-3-7-11/h1-9,14H,10H2,(H,17,20)(H,18,19)/t14-/m0/s1

InChI Key

IOYQGXYNQRRATP-AWEZNQCLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

266.3

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.327

Distribution Coefficient, logD

2.300

Water Solubility, LogSw

-3.18

Polar Surface Area

50.951

Acid Dissociation Constant (pKa)

8.60

Base Dissociation Constant (pKb)

-2.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

Y042-7711 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with Y042-7711 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-7711?
Check Price and Availability of Y042-7711, 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 Y042-7711 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-7711
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-7711
  • 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 Y042-7711 available by request