K786-8358 Screening compound: ethyl 4-{[(3-chloro-2-methylphenyl)carbamothioyl][2-(dimethylamino)ethyl]amino}piperidine-1-carboxylate

K786-8358 Screening compound: ethyl 4-{[(3-chloro-2-methylphenyl)carbamothioyl][2-(dimethylamino)ethyl]amino}piperidine-1-carboxylate
K786-8358 Screening compound: ethyl 4-{[(3-chloro-2-methylphenyl)carbamothioyl][2-(dimethylamino)ethyl]amino}piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-8358
ethyl 4-{[(3-chloro-2-methylphenyl)carbamothioyl][2-(dimethylamino)ethyl]amino}piperidine-1-carboxylate

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

K786-8358

Molecular Formula

C20H31ClN4O2S (C20 H31 ClN4 O2 S)

Compound Name

ethyl 4-{[(3-chloro-2-methylphenyl)carbamothioyl][2-(dimethylamino)ethyl]amino}piperidine-1-carboxylate

IUPAC name

ethyl 4-{[(3-chloro-2-methylphenyl)carbamothioyl][2-(dimethylamino)ethyl]amino}piperidine-1-carboxylate

SMILES

CCOC(N(CC1)CCC1N(CCN(C)C)C(Nc1cccc(Cl)c1C)=S)=O

InChI

InChI=1S/C20H31ClN4O2S/c1-5-27-20(26)24-11-9-16(10-12-24)25(14-13-23(3)4)19(28)22-18-8-6-7-17(21)15(18)2/h6-8,16H,5,9-14H2,1-4H3,(H,22,28)

InChI Key

RXKNNYYVHUJWOS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03833752

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.01

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.612

Distribution Coefficient, logD

1.692

Water Solubility, LogSw

-4.55

Polar Surface Area

35.871

Acid Dissociation Constant (pKa)

13.40

Base Dissociation Constant (pKb)

10.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

K786-8358 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with K786-8358 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-8358?
Check Price and Availability of K786-8358, 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 K786-8358 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-8358
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-8358
  • 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 K786-8358 available by request