5312-0068 Screening compound: N-(4-bromophenyl)-7,7-dimethyl-1-(4-methylphenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide

5312-0068 Screening compound: N-(4-bromophenyl)-7,7-dimethyl-1-(4-methylphenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
5312-0068 Screening compound: N-(4-bromophenyl)-7,7-dimethyl-1-(4-methylphenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5312-0068
N-(4-bromophenyl)-7,7-dimethyl-1-(4-methylphenyl)-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

5312-0068

Molecular Formula

C25H23BrN2O3 (C25 H23 BrN2 O3)

Compound Name

N-(4-bromophenyl)-7,7-dimethyl-1-(4-methylphenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide

IUPAC name

N-(4-bromophenyl)-77-dimethyl-1-(4-methylphenyl)-25-dioxo-125678-hexahydroquinoline-3-carboxamide

SMILES

CC(C)(C1)CC(N(c2ccc(C)cc2)C(C(C(Nc(cc2)ccc2Br)=O)=C2)=O)=C2C1=O

InChI

InChI=1S/C25H23BrN2O3/c1-15-4-10-18(11-5-15)28-21-13-25(2,3)14-22(29)19(21)12-20(24(28)31)23(30)27-17-8-6-16(26)7-9-17/h4-12H,13-14H2,1-3H3,(H,27,30)

InChI Key

RJZJNYNTGMLCCO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14710498

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.771

Distribution Coefficient, logD

4.506

Water Solubility, LogSw

-4.62

Polar Surface Area

51.671

Acid Dissociation Constant (pKa)

7.48

Base Dissociation Constant (pKb)

-4.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

5312-0068 in Drug Discovery

Included in Screening Libraries

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 5312-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5312-0068?
Check Price and Availability of 5312-0068, 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 5312-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5312-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5312-0068
  • 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 5312-0068 available by request