5267-1063 Screening compound: ethyl 7-bromo-2-oxo-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-4-carboxylate

5267-1063 Screening compound: ethyl 7-bromo-2-oxo-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-4-carboxylate
5267-1063 Screening compound: ethyl 7-bromo-2-oxo-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5267-1063
ethyl 7-bromo-2-oxo-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-4-carboxylate

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

5267-1063

Molecular Formula

C18H17BrN2O3 (C18 H17 BrN2 O3)

Compound Name

ethyl 7-bromo-2-oxo-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-4-carboxylate

IUPAC name

ethyl 7-bromo-2-oxo-5-phenyl-2345-tetrahydro-1H-14-benzodiazepine-4-carboxylate

SMILES

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

InChI

InChI=1S/C18H17BrN2O3/c1-2-24-18(23)21-11-16(22)20-15-9-8-13(19)10-14(15)17(21)12-6-4-3-5-7-12/h3-10,17H,2,11H2,1H3,(H,20,22)/t17-/m0/s1

InChI Key

ZLFABRBTVJJIAX-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD00981678

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.25

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.041

Distribution Coefficient, logD

4.041

Water Solubility, LogSw

-3.93

Polar Surface Area

47.350

Acid Dissociation Constant (pKa)

12.07

Base Dissociation Constant (pKb)

-2.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

5267-1063 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

Cardiovascular Library (22201 compounds)

Dark Chemical Matter Library (18430 compounds)

Eccentric PPI Library (11937 compounds)

KRAS-Targeted Library (16000 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Kinases
  • Kinases
  • Others
Structure:
  • Pool
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • Epigenetic
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5267-1063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5267-1063?
Check Price and Availability of 5267-1063, 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 5267-1063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5267-1063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5267-1063
  • 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 5267-1063 available by request