5906-2045 Screening compound: (Z)-[amino(pyridin-3-yl)methylidene]amino 4-chlorobenzene-1-sulfonate

5906-2045 Screening compound: (Z)-[amino(pyridin-3-yl)methylidene]amino 4-chlorobenzene-1-sulfonate
5906-2045 Screening compound: (Z)-[amino(pyridin-3-yl)methylidene]amino 4-chlorobenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5906-2045
(Z)-[amino(pyridin-3-yl)methylidene]amino 4-chlorobenzene-1-sulfonate

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

5906-2045

Molecular Formula

C12H10ClN3O3S (C12 H10 ClN3 O3 S)

Compound Name

(Z)-[amino(pyridin-3-yl)methylidene]amino 4-chlorobenzene-1-sulfonate

IUPAC name

(Z)-[amino(pyridin-3-yl)methylidene]amino 4-chlorobenzene-1-sulfonate

SMILES

N/C(/c1cnccc1)=N\OS(c(cc1)ccc1Cl)(=O)=O

InChI

InChI=1S/C12H10ClN3O3S/c13-10-3-5-11(6-4-10)20(17,18)19-16-12(14)9-2-1-7-15-8-9/h1-8H,(H2,14,16)

InChI Key

WOAFKJLAODUJHR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01985803

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.75

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.469

Distribution Coefficient, logD

1.434

Water Solubility, LogSw

-2.43

Polar Surface Area

77.246

Acid Dissociation Constant (pKa)

13.05

Base Dissociation Constant (pKb)

6.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

5906-2045 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5906-2045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5906-2045?
Check Price and Availability of 5906-2045, 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 5906-2045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5906-2045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5906-2045
  • 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 5906-2045 available by request