C276-0991 Screening compound: 4-(3-bromo-4-methylphenyl)-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione

C276-0991 Screening compound: 4-(3-bromo-4-methylphenyl)-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione
C276-0991 Screening compound: 4-(3-bromo-4-methylphenyl)-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C276-0991
4-(3-bromo-4-methylphenyl)-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

C276-0991

Molecular Formula

C16H16BrNO2 (C16 H16 BrNO2)

Compound Name

4-(3-bromo-4-methylphenyl)-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione

IUPAC name

4-(3-bromo-4-methylphenyl)-12345678-octahydroquinoline-25-dione

SMILES

Cc(ccc(C(C1)C(C(CCC2)=O)=C2NC1=O)c1)c1Br

InChI

InChI=1S/C16H16BrNO2/c1-9-5-6-10(7-12(9)17)11-8-15(20)18-13-3-2-4-14(19)16(11)13/h5-7,11H,2-4,8H2,1H3,(H,18,20)/t11-/m0/s1

InChI Key

MSYWXUFHHYPHDZ-NSHDSACASA-N

MDL Number (MFCD)

MFCD06754687

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.21

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.787

Distribution Coefficient, logD

2.045

Water Solubility, LogSw

-3.20

Polar Surface Area

38.006

Acid Dissociation Constant (pKa)

6.75

Base Dissociation Constant (pKb)

-0.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

C276-0991 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiparasite Library (23996 compounds)

Dark Chemical Matter Library (18430 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C276-0991 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C276-0991?
Check Price and Availability of C276-0991, 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 C276-0991 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C276-0991
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C276-0991
  • 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 C276-0991 available by request