K788-3567 Screening compound: 3-(5-chloro-2-methoxyphenyl)-1-[(1-ethyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]-1-[2-(morpholin-4-yl)ethyl]thiourea

K788-3567 Screening compound: 3-(5-chloro-2-methoxyphenyl)-1-[(1-ethyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]-1-[2-(morpholin-4-yl)ethyl]thiourea
K788-3567 Screening compound: 3-(5-chloro-2-methoxyphenyl)-1-[(1-ethyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]-1-[2-(morpholin-4-yl)ethyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-3567
3-(5-chloro-2-methoxyphenyl)-1-[(1-ethyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]-1-[2-(morpholin-4-yl)ethyl]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

K788-3567

Molecular Formula

C26H35ClN4O2S (C26 H35 ClN4 O2 S)

Compound Name

3-(5-chloro-2-methoxyphenyl)-1-[(1-ethyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]-1-[2-(morpholin-4-yl)ethyl]thiourea

IUPAC name

3-(5-chloro-2-methoxyphenyl)-1-[(1-ethyl-1234-tetrahydroquinolin-6-yl)methyl]-1-[2-(morpholin-4-yl)ethyl]thiourea

SMILES

CCN(CCC1)c2c1cc(CN(CCN1CCOCC1)C(Nc(cc(cc1)Cl)c1OC)=S)cc2

InChI

InChI=1S/C26H35ClN4O2S/c1-3-30-10-4-5-21-17-20(6-8-24(21)30)19-31(12-11-29-13-15-33-16-14-29)26(34)28-23-18-22(27)7-9-25(23)32-2/h6-9,17-18H,3-5,10-16,19H2,1-2H3,(H,28,34)

InChI Key

WXRKYGUDDKEVHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15104507

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.11

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.446

Distribution Coefficient, logD

3.967

Water Solubility, LogSw

-4.53

Polar Surface Area

31.789

Acid Dissociation Constant (pKa)

11.98

Base Dissociation Constant (pKb)

8.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

K788-3567 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with K788-3567 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-3567?
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What is the minimum amount of K788-3567 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-3567
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-3567
  • 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 K788-3567 available by request