K788-5256 Screening compound: 3-(2-methylcyclohexyl)-3-[(1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]-1-[3-(trifluoromethyl)phenyl]thiourea

K788-5256 Screening compound: 3-(2-methylcyclohexyl)-3-[(1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]-1-[3-(trifluoromethyl)phenyl]thiourea
K788-5256 Screening compound: 3-(2-methylcyclohexyl)-3-[(1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]-1-[3-(trifluoromethyl)phenyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-5256
3-(2-methylcyclohexyl)-3-[(1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]-1-[3-(trifluoromethyl)phenyl]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

K788-5256

Molecular Formula

C28H36F3N3S (C28 H36 F3 N3 S)

Compound Name

3-(2-methylcyclohexyl)-3-[(1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]-1-[3-(trifluoromethyl)phenyl]thiourea

IUPAC name

3-(2-methylcyclohexyl)-3-[(1-propyl-1234-tetrahydroquinolin-6-yl)methyl]-1-[3-(trifluoromethyl)phenyl]thiourea

SMILES

CCCN(CCC1)c2c1cc(CN(C1C(C)CCCC1)C(Nc1cc(C(F)(F)F)ccc1)=S)cc2

InChI

InChI=1S/C28H36F3N3S/c1-3-15-33-16-7-9-22-17-21(13-14-26(22)33)19-34(25-12-5-4-8-20(25)2)27(35)32-24-11-6-10-23(18-24)28(29,30)31/h6,10-11,13-14,17-18,20,25H,3-5,7-9,12,15-16,19H2,1-2H3,(H,32,35)

InChI Key

LQJDCAJCWASWSZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15105583

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.68

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.702

Distribution Coefficient, logD

7.207

Water Solubility, LogSw

-5.99

Polar Surface Area

11.951

Acid Dissociation Constant (pKa)

13.35

Base Dissociation Constant (pKb)

7.73

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

53.60

K788-5256 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Lipid Metabolism Library (9174 compounds)

Regenerative Medicine Focused Library (23016 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with K788-5256 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-5256?
Check Price and Availability of K788-5256, 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 K788-5256 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-5256
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-5256
  • 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 K788-5256 available by request