K788-0766 Screening compound: 1-(2-chloro-4-methylphenyl)-3-[(E)-[(1-ethyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]amino]thiourea

K788-0766 Screening compound: 1-(2-chloro-4-methylphenyl)-3-[(E)-[(1-ethyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]amino]thiourea
K788-0766 Screening compound: 1-(2-chloro-4-methylphenyl)-3-[(E)-[(1-ethyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]amino]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-0766
1-(2-chloro-4-methylphenyl)-3-[(E)-[(1-ethyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]amino]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

K788-0766

Molecular Formula

C20H23ClN4S (C20 H23 ClN4 S)

Compound Name

1-(2-chloro-4-methylphenyl)-3-[(E)-[(1-ethyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]amino]thiourea

IUPAC name

1-(2-chloro-4-methylphenyl)-3-[(E)-[(1-ethyl-1234-tetrahydroquinolin-6-yl)methylidene]amino]thiourea

SMILES

CCN(CCC1)c2c1cc(/C=N/NC(Nc(ccc(C)c1)c1Cl)=S)cc2

InChI

InChI=1S/C20H23ClN4S/c1-3-25-10-4-5-16-12-15(7-9-19(16)25)13-22-24-20(26)23-18-8-6-14(2)11-17(18)21/h6-9,11-13H,3-5,10H2,1-2H3,(H2,23,24,26)

InChI Key

KKSTTYBBAQDKGD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03834295

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.95

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.555

Distribution Coefficient, logD

5.550

Water Solubility, LogSw

-6.12

Polar Surface Area

33.147

Acid Dissociation Constant (pKa)

12.39

Base Dissociation Constant (pKb)

7.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

K788-0766 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with K788-0766 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-0766?
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What is the minimum amount of K788-0766 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-0766
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-0766
  • 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 K788-0766 available by request