K786-5448 Screening compound: 3-[2-(dimethylamino)ethyl]-1-(4-methylphenyl)-3-[1-(pyridin-3-yl)ethyl]thiourea

K786-5448 Screening compound: 3-[2-(dimethylamino)ethyl]-1-(4-methylphenyl)-3-[1-(pyridin-3-yl)ethyl]thiourea
K786-5448 Screening compound: 3-[2-(dimethylamino)ethyl]-1-(4-methylphenyl)-3-[1-(pyridin-3-yl)ethyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-5448
3-[2-(dimethylamino)ethyl]-1-(4-methylphenyl)-3-[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

K786-5448

Molecular Formula

C19H26N4S (C19 H26 N4 S)

Compound Name

3-[2-(dimethylamino)ethyl]-1-(4-methylphenyl)-3-[1-(pyridin-3-yl)ethyl]thiourea

IUPAC name

3-[2-(dimethylamino)ethyl]-1-(4-methylphenyl)-3-[1-(pyridin-3-yl)ethyl]thiourea

SMILES

CC(c1cnccc1)N(CCN(C)C)C(Nc1ccc(C)cc1)=S

InChI

InChI=1S/C19H26N4S/c1-15-7-9-18(10-8-15)21-19(24)23(13-12-22(3)4)16(2)17-6-5-11-20-14-17/h5-11,14,16H,12-13H2,1-4H3,(H,21,24)/t16-/m0/s1

InChI Key

RVARWBRIQJHLHT-INIZCTEOSA-N

MDL Number (MFCD)

MFCD03832427

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.51

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

3.453

Distribution Coefficient, logD

1.231

Water Solubility, LogSw

-3.36

Polar Surface Area

23.425

Acid Dissociation Constant (pKa)

15.75

Base Dissociation Constant (pKb)

9.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.80

K786-5448 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 K786-5448 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-5448?
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What is the minimum amount of K786-5448 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-5448
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-5448
  • 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 K786-5448 available by request