Y042-2830 Screening compound: 2-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)acetic acid

Y042-2830 Screening compound: 2-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)acetic acid
Y042-2830 Screening compound: 2-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-2830
2-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)acetic acid

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

Y042-2830

Molecular Formula

C11H10N2O4 (C11 H10 N2 O4)

Compound Name

2-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)acetic acid

IUPAC name

2-[(3R)-25-dioxo-2345-tetrahydro-1H-14-benzodiazepin-3-yl]acetic acid

SMILES

OC(CC(C(Nc1c2cccc1)=O)NC2=O)=O

InChI

InChI=1S/C11H10N2O4/c14-9(15)5-8-11(17)12-7-4-2-1-3-6(7)10(16)13-8/h1-4,8H,5H2,(H,12,17)(H,13,16)(H,14,15)/t8-/m0/s1

InChI Key

PZADUWCGARVTQN-QMMMGPOBSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

234.21

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.045

Distribution Coefficient, logD

-2.741

Water Solubility, LogSw

-2.17

Polar Surface Area

79.606

Acid Dissociation Constant (pKa)

4.61

Base Dissociation Constant (pKb)

-1.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.18

Y042-2830 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with Y042-2830 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-2830?
Check Price and Availability of Y042-2830, 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 Y042-2830 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-2830
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-2830
  • 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 Y042-2830 available by request