2404-0113 Screening compound: 7-bromo-4-(2-chlorobenzoyl)-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one

2404-0113 Screening compound: 7-bromo-4-(2-chlorobenzoyl)-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one
2404-0113 Screening compound: 7-bromo-4-(2-chlorobenzoyl)-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2404-0113
7-bromo-4-(2-chlorobenzoyl)-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

2404-0113

Molecular Formula

C22H16BrClN2O2 (C22 H16 BrClN2 O2)

Compound Name

7-bromo-4-(2-chlorobenzoyl)-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one

IUPAC name

7-bromo-4-(2-chlorobenzoyl)-5-phenyl-2345-tetrahydro-1H-14-benzodiazepin-2-one

SMILES

O=C(c(cccc1)c1Cl)N(C1)C(c2ccccc2)c(cc(cc2)Br)c2NC1=O

InChI

InChI=1S/C22H16BrClN2O2/c23-15-10-11-19-17(12-15)21(14-6-2-1-3-7-14)26(13-20(27)25-19)22(28)16-8-4-5-9-18(16)24/h1-12,21H,13H2,(H,25,27)/t21-/m0/s1

InChI Key

AHLIBZMWCNBFMY-NRFANRHFSA-N

MDL Number (MFCD)

MFCD01024699

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.74

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

4.995

Distribution Coefficient, logD

4.995

Water Solubility, LogSw

-5.06

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

2404-0113 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

BRD4 Targeted Library (4534 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Others

References: we are preparing a list of scientific research reports with 2404-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2404-0113?
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What is the minimum amount of 2404-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2404-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2404-0113
  • 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 2404-0113 available by request