2404-0121 Screening compound: 7-bromo-4-[3-(morpholin-4-yl)propanoyl]-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one

2404-0121 Screening compound: 7-bromo-4-[3-(morpholin-4-yl)propanoyl]-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one
2404-0121 Screening compound: 7-bromo-4-[3-(morpholin-4-yl)propanoyl]-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2404-0121
7-bromo-4-[3-(morpholin-4-yl)propanoyl]-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one

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

2404-0121

Molecular Formula

C22H24BrN3O3 (C22 H24 BrN3 O3)

Compound Name

7-bromo-4-[3-(morpholin-4-yl)propanoyl]-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one

IUPAC name

7-bromo-4-[3-(morpholin-4-yl)propanoyl]-5-phenyl-2345-tetrahydro-1H-14-benzodiazepin-2-one

SMILES

O=C(CCN1CCOCC1)N(C1)C(c2ccccc2)c(cc(cc2)Br)c2NC1=O

InChI

InChI=1S/C22H24BrN3O3/c23-17-6-7-19-18(14-17)22(16-4-2-1-3-5-16)26(15-20(27)24-19)21(28)8-9-25-10-12-29-13-11-25/h1-7,14,22H,8-13,15H2,(H,24,27)/t22-/m0/s1

InChI Key

KZDUDTWHGKPKHA-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD01171212

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.771

Distribution Coefficient, logD

2.591

Water Solubility, LogSw

-3.11

Polar Surface Area

52.390

Acid Dissociation Constant (pKa)

11.89

Base Dissociation Constant (pKb)

7.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

2404-0121 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
Mechanism of action:
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2404-0121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2404-0121?
Check Price and Availability of 2404-0121, 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 2404-0121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2404-0121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2404-0121
  • 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 2404-0121 available by request