K906-0052 Screening compound: 3-METHOXY-N-[4-(1

K906-0052 Screening compound: 3-METHOXY-N-[4-(1
K906-0052 Screening compound: 3-METHOXY-N-[4-(1 alternative view

Chemical Structure Depiction of ChemDiv screening compound K906-0052
3-METHOXY-N-[4-(1

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

K906-0052

Molecular Formula

C20H16N2O6S2 (C20 H16 N2 O6 S2)

Compound Name

3-METHOXY-N-[4-(1

IUPAC name

n/a

SMILES

COc1cccc(C(Nc(cc2)ccc2N(S(c2c3cccc2)(=O)=O)S3(=O)=O)=O)c1

InChI

InChI=1S/C20H16N2O6S2/c1-28-17-6-4-5-14(13-17)20(23)21-15-9-11-16(12-10-15)22-29(24,25)18-7-2-3-8-19(18)30(22,26)27/h2-13H,1H3,(H,21,23)

InChI Key

CHFVVJIQYNJLBX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15112097

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.49

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.949

Distribution Coefficient, logD

2.949

Water Solubility, LogSw

-3.75

Polar Surface Area

92.576

Acid Dissociation Constant (pKa)

10.83

Base Dissociation Constant (pKb)

-0.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

K906-0052 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Digestive system
  • Nervous system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K906-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K906-0052?
Check Price and Availability of K906-0052, 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 K906-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K906-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K906-0052
  • 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 K906-0052 available by request