K786-0252 Screening compound: 2-({2-[(3,4-dimethoxyphenethyl)amino]-2-oxoethyl}sulfanyl)nicotinic acid

K786-0252 Screening compound: 2-({2-[(3,4-dimethoxyphenethyl)amino]-2-oxoethyl}sulfanyl)nicotinic acid
K786-0252 Screening compound: 2-({2-[(3,4-dimethoxyphenethyl)amino]-2-oxoethyl}sulfanyl)nicotinic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-0252
2-({2-[(3,4-dimethoxyphenethyl)amino]-2-oxoethyl}sulfanyl)nicotinic acid

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

K786-0252

Molecular Formula

C18H20N2O5S (C18 H20 N2 O5 S)

Compound Name

2-({2-[(3,4-dimethoxyphenethyl)amino]-2-oxoethyl}sulfanyl)nicotinic acid

IUPAC name

2-[({[2-(34-dimethoxyphenyl)ethyl]carbamoyl}methyl)sulfanyl]pyridine-3-carboxylic acid

SMILES

COc(ccc(CCNC(CSc1ncccc1C(O)=O)=O)c1)c1OC

InChI

InChI=1S/C18H20N2O5S/c1-24-14-6-5-12(10-15(14)25-2)7-9-19-16(21)11-26-17-13(18(22)23)4-3-8-20-17/h3-6,8,10H,7,9,11H2,1-2H3,(H,19,21)(H,22,23)

InChI Key

HJQVXMJJTZHDEJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15099734

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.253

Distribution Coefficient, logD

-0.845

Water Solubility, LogSw

-2.32

Polar Surface Area

77.128

Acid Dissociation Constant (pKa)

5.31

Base Dissociation Constant (pKb)

-0.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.78

K786-0252 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 K786-0252 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-0252?
Check Price and Availability of K786-0252, 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 K786-0252 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-0252
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-0252
  • 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 K786-0252 available by request