5220-0931 Screening compound: (Z)-[amino(3,4-dimethoxyphenyl)methylidene]amino 4-phenylbutanoate

5220-0931 Screening compound: (Z)-[amino(3,4-dimethoxyphenyl)methylidene]amino 4-phenylbutanoate
5220-0931 Screening compound: (Z)-[amino(3,4-dimethoxyphenyl)methylidene]amino 4-phenylbutanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5220-0931
(Z)-[amino(3,4-dimethoxyphenyl)methylidene]amino 4-phenylbutanoate

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

5220-0931

Molecular Formula

C19H22N2O4 (C19 H22 N2 O4)

Compound Name

(Z)-[amino(3,4-dimethoxyphenyl)methylidene]amino 4-phenylbutanoate

IUPAC name

(Z)-[amino(34-dimethoxyphenyl)methylidene]amino 4-phenylbutanoate

SMILES

COc(ccc(/C(/N)=N/OC(CCCc1ccccc1)=O)c1)c1OC

InChI

InChI=1S/C19H22N2O4/c1-23-16-12-11-15(13-17(16)24-2)19(20)21-25-18(22)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,11-13H,6,9-10H2,1-2H3,(H2,20,21)

InChI Key

DXFRRTIKNVKPBS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03139082

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.066

Distribution Coefficient, logD

3.066

Water Solubility, LogSw

-3.37

Polar Surface Area

66.775

Acid Dissociation Constant (pKa)

13.31

Base Dissociation Constant (pKb)

2.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

5220-0931 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 5220-0931 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5220-0931?
Check Price and Availability of 5220-0931, 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 5220-0931 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5220-0931
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5220-0931
  • 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 5220-0931 available by request