2404-0017 Screening compound: methyl 2-{[(2-{[(benzyloxy)carbonyl]amino}-5-bromophenyl)(phenyl)methyl]amino}acetate

2404-0017 Screening compound: methyl 2-{[(2-{[(benzyloxy)carbonyl]amino}-5-bromophenyl)(phenyl)methyl]amino}acetate
2404-0017 Screening compound: methyl 2-{[(2-{[(benzyloxy)carbonyl]amino}-5-bromophenyl)(phenyl)methyl]amino}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2404-0017
methyl 2-{[(2-{[(benzyloxy)carbonyl]amino}-5-bromophenyl)(phenyl)methyl]amino}acetate

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

2404-0017

Molecular Formula

C24H23BrN2O4 (C24 H23 BrN2 O4)

Compound Name

methyl 2-{[(2-{[(benzyloxy)carbonyl]amino}-5-bromophenyl)(phenyl)methyl]amino}acetate

IUPAC name

methyl 2-{[(2-{[(benzyloxy)carbonyl]amino}-5-bromophenyl)(phenyl)methyl]amino}acetate

SMILES

COC(CNC(c1ccccc1)c(cc(cc1)Br)c1NC(OCc1ccccc1)=O)=O

InChI

InChI=1S/C24H23BrN2O4/c1-30-22(28)15-26-23(18-10-6-3-7-11-18)20-14-19(25)12-13-21(20)27-24(29)31-16-17-8-4-2-5-9-17/h2-14,23,26H,15-16H2,1H3,(H,27,29)/t23-/m0/s1

InChI Key

YERKYBKIMUQJGT-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD00525045

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.667

Distribution Coefficient, logD

4.663

Water Solubility, LogSw

-4.71

Polar Surface Area

62.576

Acid Dissociation Constant (pKa)

10.79

Base Dissociation Constant (pKb)

5.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

2404-0017 in Drug Discovery

Included in Screening Libraries

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

Human GPCR Annotated Library (5539 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 2404-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2404-0017?
Check Price and Availability of 2404-0017, 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 2404-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2404-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2404-0017
  • 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 2404-0017 available by request