K786-5521 Screening compound: 1-[2-(dimethylamino)ethyl]-3-(2,6-dimethylphenyl)-1-[1-(pyridin-3-yl)ethyl]thiourea

K786-5521 Screening compound: 1-[2-(dimethylamino)ethyl]-3-(2,6-dimethylphenyl)-1-[1-(pyridin-3-yl)ethyl]thiourea
K786-5521 Screening compound: 1-[2-(dimethylamino)ethyl]-3-(2,6-dimethylphenyl)-1-[1-(pyridin-3-yl)ethyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-5521
1-[2-(dimethylamino)ethyl]-3-(2,6-dimethylphenyl)-1-[1-(pyridin-3-yl)ethyl]thiourea

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

K786-5521

Molecular Formula

C20H28N4S (C20 H28 N4 S)

Compound Name

1-[2-(dimethylamino)ethyl]-3-(2,6-dimethylphenyl)-1-[1-(pyridin-3-yl)ethyl]thiourea

IUPAC name

1-[2-(dimethylamino)ethyl]-3-(26-dimethylphenyl)-1-[1-(pyridin-3-yl)ethyl]thiourea

SMILES

CC(c1cnccc1)N(CCN(C)C)C(Nc1c(C)cccc1C)=S

InChI

InChI=1S/C20H28N4S/c1-15-8-6-9-16(2)19(15)22-20(25)24(13-12-23(4)5)17(3)18-10-7-11-21-14-18/h6-11,14,17H,12-13H2,1-5H3,(H,22,25)/t17-/m0/s1

InChI Key

YIBRVKWZQHETQT-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD03832478

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.376

Distribution Coefficient, logD

1.154

Water Solubility, LogSw

-3.19

Polar Surface Area

22.030

Acid Dissociation Constant (pKa)

15.39

Base Dissociation Constant (pKb)

9.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

K786-5521 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with K786-5521 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-5521?
Check Price and Availability of K786-5521, 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 K786-5521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-5521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-5521
  • 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 K786-5521 available by request