8442-0004 Screening compound: 3-(2-methyl-1-propanoyl-1,2,3,4-tetrahydroquinolin-4-yl)-1,3-diphenylurea

8442-0004 Screening compound: 3-(2-methyl-1-propanoyl-1,2,3,4-tetrahydroquinolin-4-yl)-1,3-diphenylurea
8442-0004 Screening compound: 3-(2-methyl-1-propanoyl-1,2,3,4-tetrahydroquinolin-4-yl)-1,3-diphenylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound 8442-0004
3-(2-methyl-1-propanoyl-1,2,3,4-tetrahydroquinolin-4-yl)-1,3-diphenylurea

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

8442-0004

Molecular Formula

C26H27N3O2 (C26 H27 N3 O2)

Compound Name

3-(2-methyl-1-propanoyl-1,2,3,4-tetrahydroquinolin-4-yl)-1,3-diphenylurea

IUPAC name

3-(2-methyl-1-propanoyl-1234-tetrahydroquinolin-4-yl)-13-diphenylurea

SMILES

CCC(N(C(C)CC1N(C(Nc2ccccc2)=O)c2ccccc2)c2c1cccc2)=O

InChI

InChI=1S/C26H27N3O2/c1-3-25(30)28-19(2)18-24(22-16-10-11-17-23(22)28)29(21-14-8-5-9-15-21)26(31)27-20-12-6-4-7-13-20/h4-17,19,24H,3,18H2,1-2H3,(H,27,31)

InChI Key

HWWPGHGGWNLTCF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07469279

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.007

Distribution Coefficient, logD

5.007

Water Solubility, LogSw

-4.47

Polar Surface Area

37.032

Acid Dissociation Constant (pKa)

14.31

Base Dissociation Constant (pKb)

0.69

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

23.10

8442-0004 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 8442-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8442-0004?
Check Price and Availability of 8442-0004, 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 8442-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8442-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8442-0004
  • 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 8442-0004 available by request