5773-0066 Screening compound: N-(2-CARBAMOYLPHENYL)-1-(4-CHLOROPHENYL)-7,7-DIMETHYL-2,5-DIOXO-1,2,5,6,7,8-HEXAHYDROQUINOLINE-3-CARBOXAMIDE

5773-0066 Screening compound: N-(2-CARBAMOYLPHENYL)-1-(4-CHLOROPHENYL)-7,7-DIMETHYL-2,5-DIOXO-1,2,5,6,7,8-HEXAHYDROQUINOLINE-3-CARBOXAMIDE
5773-0066 Screening compound: N-(2-CARBAMOYLPHENYL)-1-(4-CHLOROPHENYL)-7,7-DIMETHYL-2,5-DIOXO-1,2,5,6,7,8-HEXAHYDROQUINOLINE-3-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound 5773-0066
N-(2-CARBAMOYLPHENYL)-1-(4-CHLOROPHENYL)-7,7-DIMETHYL-2,5-DIOXO-1,2,5,6,7,8-HEXAHYDROQUINOLINE-3-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

5773-0066

Molecular Formula

C25H22ClN3O4 (C25 H22 ClN3 O4)

Compound Name

N-(2-CARBAMOYLPHENYL)-1-(4-CHLOROPHENYL)-7,7-DIMETHYL-2,5-DIOXO-1,2,5,6,7,8-HEXAHYDROQUINOLINE-3-CARBOXAMIDE

IUPAC name

N-(2-carbamoylphenyl)-1-(4-chlorophenyl)-77-dimethyl-25-dioxo-125678-hexahydroquinoline-3-carboxamide

SMILES

CC(C)(C1)CC(N(c(cc2)ccc2Cl)C(C(C(Nc(cccc2)c2C(N)=O)=O)=C2)=O)=C2C1=O

InChI

InChI=1S/C25H22ClN3O4/c1-25(2)12-20-17(21(30)13-25)11-18(24(33)29(20)15-9-7-14(26)8-10-15)23(32)28-19-6-4-3-5-16(19)22(27)31/h3-11H,12-13H2,1-2H3,(H2,27,31)(H,28,32)

InChI Key

RUOMVIXPCSUKAY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14710825

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.92

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.894

Distribution Coefficient, logD

2.611

Water Solubility, LogSw

-3.76

Polar Surface Area

85.032

Acid Dissociation Constant (pKa)

7.44

Base Dissociation Constant (pKb)

-2.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

5773-0066 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 5773-0066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5773-0066?
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What is the minimum amount of 5773-0066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5773-0066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5773-0066
  • 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 5773-0066 available by request