K788-5251 Screening compound: 3-(3-chloro-2-methylphenyl)-1-(2-methylcyclohexyl)-1-[(1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]thiourea

K788-5251 Screening compound: 3-(3-chloro-2-methylphenyl)-1-(2-methylcyclohexyl)-1-[(1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]thiourea
K788-5251 Screening compound: 3-(3-chloro-2-methylphenyl)-1-(2-methylcyclohexyl)-1-[(1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-5251
3-(3-chloro-2-methylphenyl)-1-(2-methylcyclohexyl)-1-[(1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]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

K788-5251

Molecular Formula

C28H38ClN3S (C28 H38 ClN3 S)

Compound Name

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

IUPAC name

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

SMILES

CCCN(CCC1)c2c1cc(CN(C1C(C)CCCC1)C(Nc1cccc(Cl)c1C)=S)cc2

InChI

InChI=1S/C28H38ClN3S/c1-4-16-31-17-8-10-23-18-22(14-15-27(23)31)19-32(26-13-6-5-9-20(26)2)28(33)30-25-12-7-11-24(29)21(25)3/h7,11-12,14-15,18,20,26H,4-6,8-10,13,16-17,19H2,1-3H3,(H,30,33)

InChI Key

GMSKMPRLBVMXEU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15105578

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.15

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.810

Distribution Coefficient, logD

7.314

Water Solubility, LogSw

-6.67

Polar Surface Area

11.253

Acid Dissociation Constant (pKa)

13.63

Base Dissociation Constant (pKb)

7.73

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

53.60

K788-5251 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with K788-5251 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-5251?
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What is the minimum amount of K788-5251 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-5251
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-5251
  • 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 K788-5251 available by request