C276-0767 Screening compound: 4-(3-methoxyphenyl)-7,7-dimethyl-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione

C276-0767 Screening compound: 4-(3-methoxyphenyl)-7,7-dimethyl-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione
C276-0767 Screening compound: 4-(3-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 C276-0767
4-(3-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

C276-0767

Molecular Formula

C18H21NO3 (C18 H21 NO3)

Compound Name

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

IUPAC name

4-(3-methoxyphenyl)-77-dimethyl-12345678-octahydroquinoline-25-dione

SMILES

CC(C)(C1)CC(NC(CC2c3cc(OC)ccc3)=O)=C2C1=O

InChI

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

InChI Key

ADORTGRDBFJGJA-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD06752801

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

2.419

Distribution Coefficient, logD

1.335

Water Solubility, LogSw

-2.94

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

C276-0767 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Fragments Library (11262 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with C276-0767 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C276-0767?
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What is the minimum amount of C276-0767 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C276-0767
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C276-0767
  • 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 C276-0767 available by request