K788-5429 Screening compound: 1-[(1-butyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]-3-(3,4-dichlorophenyl)-1-[3-(morpholin-4-yl)propyl]urea

K788-5429 Screening compound: 1-[(1-butyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]-3-(3,4-dichlorophenyl)-1-[3-(morpholin-4-yl)propyl]urea
K788-5429 Screening compound: 1-[(1-butyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]-3-(3,4-dichlorophenyl)-1-[3-(morpholin-4-yl)propyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-5429
1-[(1-butyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]-3-(3,4-dichlorophenyl)-1-[3-(morpholin-4-yl)propyl]urea

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

K788-5429

Molecular Formula

C28H38Cl2N4O2 (C28 H38 Cl2 N4 O2)

Compound Name

1-[(1-butyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]-3-(3,4-dichlorophenyl)-1-[3-(morpholin-4-yl)propyl]urea

IUPAC name

1-[(1-butyl-1234-tetrahydroquinolin-6-yl)methyl]-3-(34-dichlorophenyl)-1-[3-(morpholin-4-yl)propyl]urea

SMILES

CCCCN(CCC1)c2c1cc(CN(CCCN1CCOCC1)C(Nc(cc1)cc(Cl)c1Cl)=O)cc2

InChI

InChI=1S/C28H38Cl2N4O2/c1-2-3-12-33-13-4-6-23-19-22(7-10-27(23)33)21-34(14-5-11-32-15-17-36-18-16-32)28(35)31-24-8-9-25(29)26(30)20-24/h7-10,19-20H,2-6,11-18,21H2,1H3,(H,31,35)

InChI Key

QIERVCUWRRDZIC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15105716

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

533.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.091

Distribution Coefficient, logD

5.617

Water Solubility, LogSw

-6.16

Polar Surface Area

39.681

Acid Dissociation Constant (pKa)

10.59

Base Dissociation Constant (pKb)

7.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.60

K788-5429 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Epigenetic
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with K788-5429 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-5429?
Check Price and Availability of K788-5429, 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 K788-5429 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-5429
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-5429
  • 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 K788-5429 available by request