1500-0090 Screening compound: N-(1,2,3,4-tetrahydroquinoline-1-carbothioyl)benzamide

1500-0090 Screening compound: N-(1,2,3,4-tetrahydroquinoline-1-carbothioyl)benzamide
1500-0090 Screening compound: N-(1,2,3,4-tetrahydroquinoline-1-carbothioyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1500-0090
N-(1,2,3,4-tetrahydroquinoline-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

1500-0090

Molecular Formula

C17H16N2OS (C17 H16 N2 OS)

Compound Name

N-(1,2,3,4-tetrahydroquinoline-1-carbothioyl)benzamide

IUPAC name

N-(1234-tetrahydroquinoline-1-carbothioyl)benzamide

SMILES

O=C(c1ccccc1)NC(N(CCC1)c2c1cccc2)=S

InChI

InChI=1S/C17H16N2OS/c20-16(14-8-2-1-3-9-14)18-17(21)19-12-6-10-13-7-4-5-11-15(13)19/h1-5,7-9,11H,6,10,12H2,(H,18,20,21)

InChI Key

IHEOHRXLPNPFTP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00585527

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.615

Distribution Coefficient, logD

3.614

Water Solubility, LogSw

-3.78

Polar Surface Area

23.980

Acid Dissociation Constant (pKa)

9.92

Base Dissociation Constant (pKb)

-3.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

1500-0090 in Drug Discovery

Included in Screening Libraries

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

Frequent Hitters Library (7624 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1500-0090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1500-0090?
Check Price and Availability of 1500-0090, 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 1500-0090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1500-0090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1500-0090
  • 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 1500-0090 available by request