2086-0031 Screening compound: benzyl N-{[(2-benzoyl-4-bromophenyl)carbamoyl]methyl}carbamate

2086-0031 Screening compound: benzyl N-{[(2-benzoyl-4-bromophenyl)carbamoyl]methyl}carbamate
2086-0031 Screening compound: benzyl N-{[(2-benzoyl-4-bromophenyl)carbamoyl]methyl}carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2086-0031
benzyl N-{[(2-benzoyl-4-bromophenyl)carbamoyl]methyl}carbamate

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

2086-0031

Molecular Formula

C23H19BrN2O4 (C23 H19 BrN2 O4)

Compound Name

benzyl N-{[(2-benzoyl-4-bromophenyl)carbamoyl]methyl}carbamate

IUPAC name

benzyl N-{[(2-benzoyl-4-bromophenyl)carbamoyl]methyl}carbamate

SMILES

O=C(CNC(OCc1ccccc1)=O)Nc(ccc(Br)c1)c1C(c1ccccc1)=O

InChI

InChI=1S/C23H19BrN2O4/c24-18-11-12-20(19(13-18)22(28)17-9-5-2-6-10-17)26-21(27)14-25-23(29)30-15-16-7-3-1-4-8-16/h1-13H,14-15H2,(H,25,29)(H,26,27)

InChI Key

UOZBBLJXCYMRJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01151947

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.32

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.915

Distribution Coefficient, logD

4.913

Water Solubility, LogSw

-5.01

Polar Surface Area

69.027

Acid Dissociation Constant (pKa)

9.58

Base Dissociation Constant (pKb)

-2.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

2086-0031 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 2086-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2086-0031?
Check Price and Availability of 2086-0031, 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 2086-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2086-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2086-0031
  • 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 2086-0031 available by request