3819-1318 Screening compound: 4-chloro-N-[4-(5-nitroquinolin-8-yl)piperazine-1-carbothioyl]benzamide

3819-1318 Screening compound: 4-chloro-N-[4-(5-nitroquinolin-8-yl)piperazine-1-carbothioyl]benzamide
3819-1318 Screening compound: 4-chloro-N-[4-(5-nitroquinolin-8-yl)piperazine-1-carbothioyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3819-1318
4-chloro-N-[4-(5-nitroquinolin-8-yl)piperazine-1-carbothioyl]benzamide

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

3819-1318

Molecular Formula

C21H18ClN5O3S (C21 H18 ClN5 O3 S)

Compound Name

4-chloro-N-[4-(5-nitroquinolin-8-yl)piperazine-1-carbothioyl]benzamide

IUPAC name

4-chloro-N-[4-(5-nitroquinolin-8-yl)piperazine-1-carbothioyl]benzamide

SMILES

[O-][N+](c(c1cccnc11)ccc1N(CC1)CCN1C(NC(c(cc1)ccc1Cl)=O)=S)=O

InChI

InChI=1S/C21H18ClN5O3S/c22-15-5-3-14(4-6-15)20(28)24-21(31)26-12-10-25(11-13-26)18-8-7-17(27(29)30)16-2-1-9-23-19(16)18/h1-9H,10-13H2,(H,24,28,31)

InChI Key

XVXRAPLBJINLEB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02625946

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.92

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.065

Distribution Coefficient, logD

4.062

Water Solubility, LogSw

-4.74

Polar Surface Area

70.889

Acid Dissociation Constant (pKa)

9.70

Base Dissociation Constant (pKb)

1.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

3819-1318 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3819-1318 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3819-1318?
Check Price and Availability of 3819-1318, 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 3819-1318 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3819-1318
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3819-1318
  • 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 3819-1318 available by request