5312-0088 Screening compound: N-(4-butoxyphenyl)-7,7-dimethyl-1-(4-methylphenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide

5312-0088 Screening compound: N-(4-butoxyphenyl)-7,7-dimethyl-1-(4-methylphenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
5312-0088 Screening compound: N-(4-butoxyphenyl)-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 5312-0088
N-(4-butoxyphenyl)-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

5312-0088

Molecular Formula

C29H32N2O4 (C29 H32 N2 O4)

Compound Name

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

IUPAC name

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

SMILES

CCCCOc(cc1)ccc1NC(C1=CC(C(CC(C)(C)C2)=O)=C2N(c2ccc(C)cc2)C1=O)=O

InChI

InChI=1S/C29H32N2O4/c1-5-6-15-35-22-13-9-20(10-14-22)30-27(33)24-16-23-25(17-29(3,4)18-26(23)32)31(28(24)34)21-11-7-19(2)8-12-21/h7-14,16H,5-6,15,17-18H2,1-4H3,(H,30,33)

InChI Key

IIJIIEZFOIGFFU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02905770

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.369

Distribution Coefficient, logD

5.357

Water Solubility, LogSw

-5.25

Polar Surface Area

59.089

Acid Dissociation Constant (pKa)

8.95

Base Dissociation Constant (pKb)

-2.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.50

5312-0088 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with 5312-0088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5312-0088?
Check Price and Availability of 5312-0088, 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 5312-0088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5312-0088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5312-0088
  • 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 5312-0088 available by request