8002-5212 Screening compound: (3E)-3-{[2-(4-bromophenoxy)acetamido]imino}-N-(2-phenylethyl)butanamide

8002-5212 Screening compound: (3E)-3-{[2-(4-bromophenoxy)acetamido]imino}-N-(2-phenylethyl)butanamide
8002-5212 Screening compound: (3E)-3-{[2-(4-bromophenoxy)acetamido]imino}-N-(2-phenylethyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-5212
(3E)-3-{[2-(4-bromophenoxy)acetamido]imino}-N-(2-phenylethyl)butanamide

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

8002-5212

Molecular Formula

C20H22BrN3O3 (C20 H22 BrN3 O3)

Compound Name

(3E)-3-{[2-(4-bromophenoxy)acetamido]imino}-N-(2-phenylethyl)butanamide

IUPAC name

(3E)-3-{[2-(4-bromophenoxy)acetamido]imino}-N-(2-phenylethyl)butanamide

SMILES

C/C(/CC(NCCc1ccccc1)=O)=N\NC(COc(cc1)ccc1Br)=O

InChI

InChI=1S/C20H22BrN3O3/c1-15(13-19(25)22-12-11-16-5-3-2-4-6-16)23-24-20(26)14-27-18-9-7-17(21)8-10-18/h2-10H,11-14H2,1H3,(H,22,25)(H,24,26)

InChI Key

RGLRBAONJIMQMT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00732831

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.844

Distribution Coefficient, logD

2.844

Water Solubility, LogSw

-3.28

Polar Surface Area

66.522

Acid Dissociation Constant (pKa)

10.53

Base Dissociation Constant (pKb)

1.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8002-5212 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 8002-5212 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-5212?
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What is the minimum amount of 8002-5212 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-5212
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-5212
  • 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 8002-5212 available by request