C276-0774 Screening compound: 7,7-dimethyl-4-[4-(methylsulfanyl)phenyl]-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione

C276-0774 Screening compound: 7,7-dimethyl-4-[4-(methylsulfanyl)phenyl]-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione
C276-0774 Screening compound: 7,7-dimethyl-4-[4-(methylsulfanyl)phenyl]-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C276-0774
7,7-dimethyl-4-[4-(methylsulfanyl)phenyl]-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

C276-0774

Molecular Formula

C18H21NO2S (C18 H21 NO2 S)

Compound Name

7,7-dimethyl-4-[4-(methylsulfanyl)phenyl]-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione

IUPAC name

77-dimethyl-4-[4-(methylsulfanyl)phenyl]-12345678-octahydroquinoline-25-dione

SMILES

CC(C)(C1)CC(NC(CC2c(cc3)ccc3SC)=O)=C2C1=O

InChI

InChI=1S/C18H21NO2S/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-/m0/s1

InChI Key

DXIGNFGLBISUKP-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD06752807

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.081

Distribution Coefficient, logD

1.998

Water Solubility, LogSw

-3.29

Polar Surface Area

38.006

Acid Dissociation Constant (pKa)

6.35

Base Dissociation Constant (pKb)

-0.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

C276-0774 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C276-0774 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C276-0774?
Check Price and Availability of C276-0774, 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 C276-0774 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C276-0774
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C276-0774
  • 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 C276-0774 available by request