5546-0156 Screening compound: (Z)-[amino(4-chlorophenyl)methylidene]amino 2H-1,3-benzodioxole-5-carboxylate

5546-0156 Screening compound: (Z)-[amino(4-chlorophenyl)methylidene]amino 2H-1,3-benzodioxole-5-carboxylate
5546-0156 Screening compound: (Z)-[amino(4-chlorophenyl)methylidene]amino 2H-1,3-benzodioxole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5546-0156
(Z)-[amino(4-chlorophenyl)methylidene]amino 2H-1,3-benzodioxole-5-carboxylate

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

5546-0156

Molecular Formula

C15H11ClN2O4 (C15 H11 ClN2 O4)

Compound Name

(Z)-[amino(4-chlorophenyl)methylidene]amino 2H-1,3-benzodioxole-5-carboxylate

IUPAC name

(Z)-[amino(4-chlorophenyl)methylidene]amino 2H-13-benzodioxole-5-carboxylate

SMILES

N/C(/c(cc1)ccc1Cl)=N\OC(c(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C15H11ClN2O4/c16-11-4-1-9(2-5-11)14(17)18-22-15(19)10-3-6-12-13(7-10)21-8-20-12/h1-7H,8H2,(H2,17,18)

InChI Key

LADSWXUCALUZSI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03827581

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.72

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.000

Distribution Coefficient, logD

3.000

Water Solubility, LogSw

-3.50

Polar Surface Area

69.225

Acid Dissociation Constant (pKa)

12.49

Base Dissociation Constant (pKb)

1.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

5546-0156 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5546-0156 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5546-0156?
Check Price and Availability of 5546-0156, 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 5546-0156 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5546-0156
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5546-0156
  • 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 5546-0156 available by request