C276-0745 Screening compound: 4-(4-methoxyphenyl)-7,7-dimethyl-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione

C276-0745 Screening compound: 4-(4-methoxyphenyl)-7,7-dimethyl-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione
C276-0745 Screening compound: 4-(4-methoxyphenyl)-7,7-dimethyl-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C276-0745
4-(4-methoxyphenyl)-7,7-dimethyl-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione

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

C276-0745

Molecular Formula

C18H21NO3 (C18 H21 NO3)

Compound Name

4-(4-methoxyphenyl)-7,7-dimethyl-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione

IUPAC name

4-(4-methoxyphenyl)-77-dimethyl-12345678-octahydroquinoline-25-dione

SMILES

CC(C)(C1)CC(NC(CC2c(cc3)ccc3OC)=O)=C2C1=O

InChI

InChI=1S/C18H21NO3/c1-18(2)9-14-17(15(20)10-18)13(8-16(21)19-14)11-4-6-12(22-3)7-5-11/h4-7,13H,8-10H2,1-3H3,(H,19,21)/t13-/m1/s1

InChI Key

SLAKKDBPHYOCQW-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD00474253

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.344

Distribution Coefficient, logD

1.261

Water Solubility, LogSw

-2.95

Polar Surface Area

45.550

Acid Dissociation Constant (pKa)

6.35

Base Dissociation Constant (pKb)

-0.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

C276-0745 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with C276-0745 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C276-0745?
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What is the minimum amount of C276-0745 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C276-0745
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C276-0745
  • 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 C276-0745 available by request