2404-0111 Screening compound: 4-benzoyl-7-bromo-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one

2404-0111 Screening compound: 4-benzoyl-7-bromo-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one
2404-0111 Screening compound: 4-benzoyl-7-bromo-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2404-0111
4-benzoyl-7-bromo-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

2404-0111

Molecular Formula

C22H17BrN2O2 (C22 H17 BrN2 O2)

Compound Name

4-benzoyl-7-bromo-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one

IUPAC name

4-benzoyl-7-bromo-5-phenyl-2345-tetrahydro-1H-14-benzodiazepin-2-one

SMILES

O=C(c1ccccc1)N(C1)C(c2ccccc2)c(cc(cc2)Br)c2NC1=O

InChI

InChI=1S/C22H17BrN2O2/c23-17-11-12-19-18(13-17)21(15-7-3-1-4-8-15)25(14-20(26)24-19)22(27)16-9-5-2-6-10-16/h1-13,21H,14H2,(H,24,26)/t21-/m0/s1

InChI Key

OXAUSTVMMAEMQF-NRFANRHFSA-N

MDL Number (MFCD)

MFCD00846149

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.29

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.562

Distribution Coefficient, logD

4.562

Water Solubility, LogSw

-4.37

Polar Surface Area

41.026

Acid Dissociation Constant (pKa)

12.12

Base Dissociation Constant (pKb)

-2.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.10

2404-0111 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with 2404-0111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2404-0111?
Check Price and Availability of 2404-0111, 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 2404-0111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2404-0111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2404-0111
  • 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 2404-0111 available by request