4781-0116 Screening compound: 1-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-N'-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-carbohydrazide

4781-0116 Screening compound: 1-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-N'-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-carbohydrazide
4781-0116 Screening compound: 1-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-N'-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4781-0116
1-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-N'-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-carbohydrazide

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

4781-0116

Molecular Formula

C25H25N3O4 (C25 H25 N3 O4)

Compound Name

1-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-N'-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-carbohydrazide

IUPAC name

1-(4-methoxyphenyl)-77-dimethyl-25-dioxo-N'-phenyl-125678-hexahydroquinoline-3-carbohydrazide

SMILES

CC(C)(C1)CC(N(c(cc2)ccc2OC)C(C(C(NNc2ccccc2)=O)=C2)=O)=C2C1=O

InChI

InChI=1S/C25H25N3O4/c1-25(2)14-21-19(22(29)15-25)13-20(23(30)27-26-16-7-5-4-6-8-16)24(31)28(21)17-9-11-18(32-3)12-10-17/h4-13,26H,14-15H2,1-3H3,(H,27,30)

InChI Key

YLTKCVONWFMRLH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03827006

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.920

Distribution Coefficient, logD

2.854

Water Solubility, LogSw

-3.44

Polar Surface Area

73.141

Acid Dissociation Constant (pKa)

8.18

Base Dissociation Constant (pKb)

2.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

4781-0116 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4781-0116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4781-0116?
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What is the minimum amount of 4781-0116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4781-0116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4781-0116
  • 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 4781-0116 available by request