4477-1399 Screening compound: 2-methyl-N-phenyl-4-[3-phenyl(phenylcarbamoyl)amino]-1,2,3,4-tetrahydroquinoline-1-carboxamide

4477-1399 Screening compound: 2-methyl-N-phenyl-4-[3-phenyl(phenylcarbamoyl)amino]-1,2,3,4-tetrahydroquinoline-1-carboxamide
4477-1399 Screening compound: 2-methyl-N-phenyl-4-[3-phenyl(phenylcarbamoyl)amino]-1,2,3,4-tetrahydroquinoline-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4477-1399
2-methyl-N-phenyl-4-[3-phenyl(phenylcarbamoyl)amino]-1,2,3,4-tetrahydroquinoline-1-carboxamide

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

4477-1399

Molecular Formula

C30H28N4O2 (C30 H28 N4 O2)

Compound Name

2-methyl-N-phenyl-4-[3-phenyl(phenylcarbamoyl)amino]-1,2,3,4-tetrahydroquinoline-1-carboxamide

IUPAC name

2-methyl-N-phenyl-4-[3-phenyl(phenylcarbamoyl)amino]-1234-tetrahydroquinoline-1-carboxamide

SMILES

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

InChI

InChI=1S/C30H28N4O2/c1-22-21-28(34(25-17-9-4-10-18-25)30(36)32-24-15-7-3-8-16-24)26-19-11-12-20-27(26)33(22)29(35)31-23-13-5-2-6-14-23/h2-20,22,28H,21H2,1H3,(H,31,35)(H,32,36)

InChI Key

OBRZFAYICWFDHA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01796213

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.58

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.212

Distribution Coefficient, logD

6.212

Water Solubility, LogSw

-5.59

Polar Surface Area

46.109

Acid Dissociation Constant (pKa)

13.75

Base Dissociation Constant (pKb)

-0.49

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

13.30

4477-1399 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 4477-1399 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4477-1399?
Check Price and Availability of 4477-1399, 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 4477-1399 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4477-1399
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4477-1399
  • 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 4477-1399 available by request