8002-4621 Screening compound: N'',N'''-bis[(E)-1-(3-ethoxy-4-hydroxyphenyl)methylidene]carbonic dihydrazide

8002-4621 Screening compound: N'',N'''-bis[(E)-1-(3-ethoxy-4-hydroxyphenyl)methylidene]carbonic dihydrazide
8002-4621 Screening compound: N'',N'''-bis[(E)-1-(3-ethoxy-4-hydroxyphenyl)methylidene]carbonic dihydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-4621
N'',N'''-bis[(E)-1-(3-ethoxy-4-hydroxyphenyl)methylidene]carbonic dihydrazide

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

8002-4621

Molecular Formula

C19H22N4O5 (C19 H22 N4 O5)

Compound Name

N'',N'''-bis[(E)-1-(3-ethoxy-4-hydroxyphenyl)methylidene]carbonic dihydrazide

IUPAC name

13-bis[(E)-[(3-ethoxy-4-hydroxyphenyl)methylidene]amino]urea

SMILES

CCOc(cc(/C=N/NC(N/N=C/c(cc1)cc(OCC)c1O)=O)cc1)c1O

InChI

InChI=1S/C19H22N4O5/c1-3-27-17-9-13(5-7-15(17)24)11-20-22-19(26)23-21-12-14-6-8-16(25)18(10-14)28-4-2/h5-12,24-25H,3-4H2,1-2H3,(H2,22,23,26)

InChI Key

RPHOHFJYJKFTJR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00742115

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.034

Distribution Coefficient, logD

3.033

Water Solubility, LogSw

-2.93

Polar Surface Area

104.507

Acid Dissociation Constant (pKa)

9.84

Base Dissociation Constant (pKb)

5.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.05

8002-4621 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8002-4621 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-4621?
Check Price and Availability of 8002-4621, 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 8002-4621 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-4621
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-4621
  • 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 8002-4621 available by request