K788-5282 Screening compound: 3-(butan-2-yl)-1-(3-chloro-2-methylphenyl)-3-[(1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]thiourea

K788-5282 Screening compound: 3-(butan-2-yl)-1-(3-chloro-2-methylphenyl)-3-[(1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]thiourea
K788-5282 Screening compound: 3-(butan-2-yl)-1-(3-chloro-2-methylphenyl)-3-[(1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-5282
3-(butan-2-yl)-1-(3-chloro-2-methylphenyl)-3-[(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

K788-5282

Molecular Formula

C25H34ClN3S (C25 H34 ClN3 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C25H34ClN3S/c1-5-14-28-15-8-9-21-16-20(12-13-24(21)28)17-29(18(3)6-2)25(30)27-23-11-7-10-22(26)19(23)4/h7,10-13,16,18H,5-6,8-9,14-15,17H2,1-4H3,(H,27,30)/t18-/m0/s1

InChI Key

AISIGSGFGXKHQY-SFHVURJKSA-N

MDL Number (MFCD)

MFCD15105602

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.08

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

7.283

Distribution Coefficient, logD

6.788

Water Solubility, LogSw

-6.64

Polar Surface Area

12.143

Acid Dissociation Constant (pKa)

13.63

Base Dissociation Constant (pKb)

7.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.00

References: we are preparing a list of scientific research reports with K788-5282 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-5282?
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What is the minimum amount of K788-5282 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-5282
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-5282
  • 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 K788-5282 available by request