5312-0073 Screening compound: N-(2-bromophenyl)-1-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide

5312-0073 Screening compound: N-(2-bromophenyl)-1-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
5312-0073 Screening compound: N-(2-bromophenyl)-1-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5312-0073
N-(2-bromophenyl)-1-(4-methoxyphenyl)-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

5312-0073

Molecular Formula

C25H23BrN2O4 (C25 H23 BrN2 O4)

Compound Name

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

IUPAC name

N-(2-bromophenyl)-1-(4-methoxyphenyl)-77-dimethyl-25-dioxo-125678-hexahydroquinoline-3-carboxamide

SMILES

CC(C)(C1)CC(N(c(cc2)ccc2OC)C(C(C(Nc(cccc2)c2Br)=O)=C2)=O)=C2C1=O

InChI

InChI=1S/C25H23BrN2O4/c1-25(2)13-21-17(22(29)14-25)12-18(23(30)27-20-7-5-4-6-19(20)26)24(31)28(21)15-8-10-16(32-3)11-9-15/h4-12H,13-14H2,1-3H3,(H,27,30)

InChI Key

FQMPGFPJFAXQNL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14710501

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.957

Distribution Coefficient, logD

3.905

Water Solubility, LogSw

-4.38

Polar Surface Area

58.517

Acid Dissociation Constant (pKa)

8.30

Base Dissociation Constant (pKb)

-5.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

5312-0073 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 5312-0073 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5312-0073?
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What is the minimum amount of 5312-0073 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5312-0073
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5312-0073
  • 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 5312-0073 available by request