C340-0036 Screening compound: N-[4-methyl-2-(pyrrolidin-1-yl)quinolin-6-yl]azepane-1-carbothioamide

C340-0036 Screening compound: N-[4-methyl-2-(pyrrolidin-1-yl)quinolin-6-yl]azepane-1-carbothioamide
C340-0036 Screening compound: N-[4-methyl-2-(pyrrolidin-1-yl)quinolin-6-yl]azepane-1-carbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C340-0036
N-[4-methyl-2-(pyrrolidin-1-yl)quinolin-6-yl]azepane-1-carbothioamide

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

C340-0036

Molecular Formula

C21H28N4S (C21 H28 N4 S)

Compound Name

N-[4-methyl-2-(pyrrolidin-1-yl)quinolin-6-yl]azepane-1-carbothioamide

IUPAC name

N-[4-methyl-2-(pyrrolidin-1-yl)quinolin-6-yl]azepane-1-carbothioamide

SMILES

Cc1c(cc(cc2)NC(N3CCCCCC3)=S)c2nc(N2CCCC2)c1

InChI

InChI=1S/C21H28N4S/c1-16-14-20(24-10-6-7-11-24)23-19-9-8-17(15-18(16)19)22-21(26)25-12-4-2-3-5-13-25/h8-9,14-15H,2-7,10-13H2,1H3,(H,22,26)

InChI Key

MGPWOAHGVIOVAU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14749850

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.55

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.755

Distribution Coefficient, logD

5.755

Water Solubility, LogSw

-5.61

Polar Surface Area

23.080

Acid Dissociation Constant (pKa)

13.71

Base Dissociation Constant (pKb)

3.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.40

C340-0036 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C340-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C340-0036?
Check Price and Availability of C340-0036, 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 C340-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C340-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C340-0036
  • 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 C340-0036 available by request