3716-0366 Screening compound: N-(5-bromopyridin-2-yl)-4-(3-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide

3716-0366 Screening compound: N-(5-bromopyridin-2-yl)-4-(3-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
3716-0366 Screening compound: N-(5-bromopyridin-2-yl)-4-(3-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3716-0366
N-(5-bromopyridin-2-yl)-4-(3-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide

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

3716-0366

Molecular Formula

C22H19BrClN3O2 (C22 H19 BrClN3 O2)

Compound Name

N-(5-bromopyridin-2-yl)-4-(3-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide

IUPAC name

N-(5-bromopyridin-2-yl)-4-(3-chlorophenyl)-2-methyl-5-oxo-145678-hexahydroquinoline-3-carboxamide

SMILES

CC(NC(CCC1)=C(C2c3cc(Cl)ccc3)C1=O)=C2C(Nc(cc1)ncc1Br)=O

InChI

InChI=1S/C22H19BrClN3O2/c1-12-19(22(29)27-18-9-8-14(23)11-25-18)20(13-4-2-5-15(24)10-13)21-16(26-12)6-3-7-17(21)28/h2,4-5,8-11,20,26H,3,6-7H2,1H3,(H,25,27,29)/t20-/m0/s1

InChI Key

IPMXSMRTPQNPLK-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD02637528

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.77

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.990

Distribution Coefficient, logD

3.346

Water Solubility, LogSw

-5.03

Polar Surface Area

56.717

Acid Dissociation Constant (pKa)

5.77

Base Dissociation Constant (pKb)

1.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

3716-0366 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 3716-0366 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3716-0366?
Check Price and Availability of 3716-0366, 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 3716-0366 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3716-0366
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3716-0366
  • 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 3716-0366 available by request