2086-0023 Screening compound: methyl 2-[({5-bromo-2-[3-(morpholin-4-yl)propanamido]phenyl}(phenyl)methyl)amino]acetate

2086-0023 Screening compound: methyl 2-[({5-bromo-2-[3-(morpholin-4-yl)propanamido]phenyl}(phenyl)methyl)amino]acetate
2086-0023 Screening compound: methyl 2-[({5-bromo-2-[3-(morpholin-4-yl)propanamido]phenyl}(phenyl)methyl)amino]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2086-0023
methyl 2-[({5-bromo-2-[3-(morpholin-4-yl)propanamido]phenyl}(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

2086-0023

Molecular Formula

C23H28BrN3O4 (C23 H28 BrN3 O4)

Compound Name

methyl 2-[({5-bromo-2-[3-(morpholin-4-yl)propanamido]phenyl}(phenyl)methyl)amino]acetate

IUPAC name

methyl 2-[({5-bromo-2-[3-(morpholin-4-yl)propanamido]phenyl}(phenyl)methyl)amino]acetate

SMILES

COC(CNC(c1ccccc1)c(cc(cc1)Br)c1NC(CCN1CCOCC1)=O)=O

InChI

InChI=1S/C23H28BrN3O4/c1-30-22(29)16-25-23(17-5-3-2-4-6-17)19-15-18(24)7-8-20(19)26-21(28)9-10-27-11-13-31-14-12-27/h2-8,15,23,25H,9-14,16H2,1H3,(H,26,28)/t23-/m0/s1

InChI Key

BGDYWGHYOLNDJU-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD01151940

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.923

Distribution Coefficient, logD

1.891

Water Solubility, LogSw

-2.73

Polar Surface Area

65.797

Acid Dissociation Constant (pKa)

11.37

Base Dissociation Constant (pKb)

6.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

2086-0023 in Drug Discovery

Included in Screening Libraries

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

Human Transcription Factors Annotated Library (5098 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2086-0023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2086-0023?
Check Price and Availability of 2086-0023, 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 2086-0023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2086-0023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2086-0023
  • 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 2086-0023 available by request