J100-0334 Screening compound: (3R)-3-(2-oxo-2-{4-[2-(4-pyridyl)ethyl]piperazino}ethyl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione

J100-0334 Screening compound: (3R)-3-(2-oxo-2-{4-[2-(4-pyridyl)ethyl]piperazino}ethyl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
J100-0334 Screening compound: (3R)-3-(2-oxo-2-{4-[2-(4-pyridyl)ethyl]piperazino}ethyl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound J100-0334
(3R)-3-(2-oxo-2-{4-[2-(4-pyridyl)ethyl]piperazino}ethyl)-3,4-dihydro-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

J100-0334

Molecular Formula

C22H25N5O3 (C22 H25 N5 O3)

Compound Name

(3R)-3-(2-oxo-2-{4-[2-(4-pyridyl)ethyl]piperazino}ethyl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione

IUPAC name

n/a

SMILES

O=C(C[C@H](C(Nc1c2cccc1)=O)NC2=O)N1CCN(CCc2ccncc2)CC1

InChI

InChI=1S/C22H25N5O3/c28-20(15-19-22(30)24-18-4-2-1-3-17(18)21(29)25-19)27-13-11-26(12-14-27)10-7-16-5-8-23-9-6-16/h1-6,8-9,19H,7,10-15H2,(H,24,30)(H,25,29)/t19-/m1/s1

InChI Key

GPLIWLZQDODCLW-LJQANCHMSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.157

Distribution Coefficient, logD

0.080

Water Solubility, LogSw

-1.65

Polar Surface Area

80.290

Acid Dissociation Constant (pKa)

8.94

Base Dissociation Constant (pKb)

6.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

J100-0334 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Anticancer Library (62698 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Cancer
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with J100-0334 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J100-0334?
Check Price and Availability of J100-0334, 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 J100-0334 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J100-0334
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J100-0334
  • 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 J100-0334 available by request