3716-0151 Screening compound: 4-(2-chloro-5-nitrophenyl)-2,7,7-trimethyl-N-(5-methylpyridin-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide

3716-0151 Screening compound: 4-(2-chloro-5-nitrophenyl)-2,7,7-trimethyl-N-(5-methylpyridin-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
3716-0151 Screening compound: 4-(2-chloro-5-nitrophenyl)-2,7,7-trimethyl-N-(5-methylpyridin-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3716-0151
4-(2-chloro-5-nitrophenyl)-2,7,7-trimethyl-N-(5-methylpyridin-2-yl)-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

3716-0151

Molecular Formula

C25H25ClN4O4 (C25 H25 ClN4 O4)

Compound Name

4-(2-chloro-5-nitrophenyl)-2,7,7-trimethyl-N-(5-methylpyridin-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide

IUPAC name

4-(2-chloro-5-nitrophenyl)-277-trimethyl-N-(5-methylpyridin-2-yl)-5-oxo-145678-hexahydroquinoline-3-carboxamide

SMILES

CC(C)(C1)CC(NC(C)=C(C2c(cc(cc3)[N+]([O-])=O)c3Cl)C(Nc3ncc(C)cc3)=O)=C2C1=O

InChI

InChI=1S/C25H25ClN4O4/c1-13-5-8-20(27-12-13)29-24(32)21-14(2)28-18-10-25(3,4)11-19(31)23(18)22(21)16-9-15(30(33)34)6-7-17(16)26/h5-9,12,22,28H,10-11H2,1-4H3,(H,27,29,32)/t22-/m0/s1

InChI Key

WIDUJQFKUNCNHT-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14708624

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.95

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.365

Distribution Coefficient, logD

3.496

Water Solubility, LogSw

-5.96

Polar Surface Area

90.099

Acid Dissociation Constant (pKa)

5.54

Base Dissociation Constant (pKb)

4.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

3716-0151 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

?ysteine Targeted Covalent Library (39471 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 3716-0151 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3716-0151?
Check Price and Availability of 3716-0151, 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 3716-0151 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3716-0151
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3716-0151
  • 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 3716-0151 available by request