K786-5516 Screening compound: 1-[2-(dimethylamino)ethyl]-1-[1-(pyridin-3-yl)ethyl]-3-(2,4,6-trimethylphenyl)thiourea

K786-5516 Screening compound: 1-[2-(dimethylamino)ethyl]-1-[1-(pyridin-3-yl)ethyl]-3-(2,4,6-trimethylphenyl)thiourea
K786-5516 Screening compound: 1-[2-(dimethylamino)ethyl]-1-[1-(pyridin-3-yl)ethyl]-3-(2,4,6-trimethylphenyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-5516
1-[2-(dimethylamino)ethyl]-1-[1-(pyridin-3-yl)ethyl]-3-(2,4,6-trimethylphenyl)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

K786-5516

Molecular Formula

C21H30N4S (C21 H30 N4 S)

Compound Name

1-[2-(dimethylamino)ethyl]-1-[1-(pyridin-3-yl)ethyl]-3-(2,4,6-trimethylphenyl)thiourea

IUPAC name

1-[2-(dimethylamino)ethyl]-1-[1-(pyridin-3-yl)ethyl]-3-(246-trimethylphenyl)thiourea

SMILES

CC(c1cnccc1)N(CCN(C)C)C(Nc1c(C)cc(C)cc1C)=S

InChI

InChI=1S/C21H30N4S/c1-15-12-16(2)20(17(3)13-15)23-21(26)25(11-10-24(5)6)18(4)19-8-7-9-22-14-19/h7-9,12-14,18H,10-11H2,1-6H3,(H,23,26)/t18-/m0/s1

InChI Key

WDDANUKCLVOFLY-SFHVURJKSA-N

MDL Number (MFCD)

MFCD03832473

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.56

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

3.704

Distribution Coefficient, logD

1.483

Water Solubility, LogSw

-3.54

Polar Surface Area

22.030

Acid Dissociation Constant (pKa)

15.27

Base Dissociation Constant (pKb)

9.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

K786-5516 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with K786-5516 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-5516?
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What is the minimum amount of K786-5516 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-5516
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-5516
  • 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 K786-5516 available by request