8015-0388 Screening compound: N~1~-(2-methoxyphenyl)-3,4-dihydro-1(2H)-quinolinecarbothioamide

8015-0388 Screening compound: N~1~-(2-methoxyphenyl)-3,4-dihydro-1(2H)-quinolinecarbothioamide
8015-0388 Screening compound: N~1~-(2-methoxyphenyl)-3,4-dihydro-1(2H)-quinolinecarbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-0388
N~1~-(2-methoxyphenyl)-3,4-dihydro-1(2H)-quinolinecarbothioamide

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

8015-0388

Molecular Formula

C17H18N2OS (C17 H18 N2 OS)

Compound Name

N~1~-(2-methoxyphenyl)-3,4-dihydro-1(2H)-quinolinecarbothioamide

IUPAC name

N-(2-methoxyphenyl)-1234-tetrahydroquinoline-1-carbothioamide

SMILES

COc(cccc1)c1NC(N(CCC1)c2c1cccc2)=S

InChI

InChI=1S/C17H18N2OS/c1-20-16-11-5-3-9-14(16)18-17(21)19-12-6-8-13-7-2-4-10-15(13)19/h2-5,7,9-11H,6,8,12H2,1H3,(H,18,21)

InChI Key

ZAHZALWJLXFNRZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03854956

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.41

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.453

Distribution Coefficient, logD

4.453

Water Solubility, LogSw

-4.22

Polar Surface Area

16.734

Acid Dissociation Constant (pKa)

12.90

Base Dissociation Constant (pKb)

0.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.53

8015-0388 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 8015-0388 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-0388?
Check Price and Availability of 8015-0388, 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 8015-0388 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-0388
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-0388
  • 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 8015-0388 available by request