4714-0522 Screening compound: N'~1~-benzo[cd]indol-2(1H)-yliden-2-(4-methoxyphenyl)acetohydrazide

4714-0522 Screening compound: N'~1~-benzo[cd]indol-2(1H)-yliden-2-(4-methoxyphenyl)acetohydrazide
4714-0522 Screening compound: N'~1~-benzo[cd]indol-2(1H)-yliden-2-(4-methoxyphenyl)acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4714-0522
N'~1~-benzo[cd]indol-2(1H)-yliden-2-(4-methoxyphenyl)acetohydrazide

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

4714-0522

Molecular Formula

C20H17N3O2 (C20 H17 N3 O2)

Compound Name

N'~1~-benzo[cd]indol-2(1H)-yliden-2-(4-methoxyphenyl)acetohydrazide

IUPAC name

N'-[(3E)-2-azatricyclo[6.3.1.0^{412}]dodeca-1(12)46810-pentaen-3-ylidene]-2-(4-methoxyphenyl)acetohydrazide

SMILES

COc1ccc(CC(N/N=C(\c2ccc3)/Nc4c2c3ccc4)=O)cc1

InChI

InChI=1S/C20H17N3O2/c1-25-15-10-8-13(9-11-15)12-18(24)22-23-20-16-6-2-4-14-5-3-7-17(21-20)19(14)16/h2-11H,12H2,1H3,(H,21,23)(H,22,24)

InChI Key

ZKRUHLQNDKHOCC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02242088

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.635

Distribution Coefficient, logD

3.628

Water Solubility, LogSw

-4.16

Polar Surface Area

53.851

Acid Dissociation Constant (pKa)

9.21

Base Dissociation Constant (pKb)

3.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

4714-0522 in Drug Discovery

Included in Screening Libraries

NOTUM (Wnt signaling) Library (3881 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4714-0522 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4714-0522?
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What is the minimum amount of 4714-0522 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4714-0522
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4714-0522
  • 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 4714-0522 available by request