0450-0059 Screening compound: benzyl N-[({[(2-benzoyl-4-bromophenyl)carbamoyl]methyl}carbamoyl)methyl]carbamate

0450-0059 Screening compound: benzyl N-[({[(2-benzoyl-4-bromophenyl)carbamoyl]methyl}carbamoyl)methyl]carbamate
0450-0059 Screening compound: benzyl N-[({[(2-benzoyl-4-bromophenyl)carbamoyl]methyl}carbamoyl)methyl]carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0450-0059
benzyl N-[({[(2-benzoyl-4-bromophenyl)carbamoyl]methyl}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

0450-0059

Molecular Formula

C25H22BrN3O5 (C25 H22 BrN3 O5)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C25H22BrN3O5/c26-19-11-12-21(20(13-19)24(32)18-9-5-2-6-10-18)29-23(31)15-27-22(30)14-28-25(33)34-16-17-7-3-1-4-8-17/h1-13H,14-16H2,(H,27,30)(H,28,33)(H,29,31)

InChI Key

DEGJZKQJDRMMKH-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

524.37

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.677

Distribution Coefficient, logD

4.673

Water Solubility, LogSw

-4.91

Polar Surface Area

93.498

Acid Dissociation Constant (pKa)

9.41

Base Dissociation Constant (pKb)

-1.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

References: we are preparing a list of scientific research reports with 0450-0059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0450-0059?
Check Price and Availability of 0450-0059, 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 0450-0059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0450-0059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0450-0059
  • 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 0450-0059 available by request