7752-0441 Screening compound: N-(3-chloro-2-methylphenyl)-7,7-dimethyl-2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinoline-4-carboxamide

7752-0441 Screening compound: N-(3-chloro-2-methylphenyl)-7,7-dimethyl-2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinoline-4-carboxamide
7752-0441 Screening compound: N-(3-chloro-2-methylphenyl)-7,7-dimethyl-2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7752-0441
N-(3-chloro-2-methylphenyl)-7,7-dimethyl-2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinoline-4-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

7752-0441

Molecular Formula

C19H21ClN2O3 (C19 H21 ClN2 O3)

Compound Name

N-(3-chloro-2-methylphenyl)-7,7-dimethyl-2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinoline-4-carboxamide

IUPAC name

N-(3-chloro-2-methylphenyl)-77-dimethyl-25-dioxo-12345678-octahydroquinoline-4-carboxamide

SMILES

CC(C)(C1)CC(NC(CC2C(Nc3cccc(Cl)c3C)=O)=O)=C2C1=O

InChI

InChI=1S/C19H21ClN2O3/c1-10-12(20)5-4-6-13(10)22-18(25)11-7-16(24)21-14-8-19(2,3)9-15(23)17(11)14/h4-6,11H,7-9H2,1-3H3,(H,21,24)(H,22,25)/t11-/m1/s1

InChI Key

QNAFOLQACQIEHA-LLVKDONJSA-N

MDL Number (MFCD)

MFCD06613394

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.84

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.749

Distribution Coefficient, logD

1.768

Water Solubility, LogSw

-3.20

Polar Surface Area

60.671

Acid Dissociation Constant (pKa)

6.47

Base Dissociation Constant (pKb)

0.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

7752-0441 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 7752-0441 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7752-0441?
Check Price and Availability of 7752-0441, 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 7752-0441 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7752-0441
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7752-0441
  • 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 7752-0441 available by request