8019-1147 Screening compound: 1-(4-chlorophenyl)-5-cyclopentyl-1,3,5-triazinane-2-thione

8019-1147 Screening compound: 1-(4-chlorophenyl)-5-cyclopentyl-1,3,5-triazinane-2-thione
8019-1147 Screening compound: 1-(4-chlorophenyl)-5-cyclopentyl-1,3,5-triazinane-2-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-1147
1-(4-chlorophenyl)-5-cyclopentyl-1,3,5-triazinane-2-thione

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

8019-1147

Molecular Formula

C14H18ClN3S (C14 H18 ClN3 S)

Compound Name

1-(4-chlorophenyl)-5-cyclopentyl-1,3,5-triazinane-2-thione

IUPAC name

1-(4-chlorophenyl)-5-cyclopentyl-135-triazinane-2-thione

SMILES

S=C(NCN(C1)C2CCCC2)N1c(cc1)ccc1Cl

InChI

InChI=1S/C14H18ClN3S/c15-11-5-7-13(8-6-11)18-10-17(9-16-14(18)19)12-3-1-2-4-12/h5-8,12H,1-4,9-10H2,(H,16,19)

InChI Key

KWNURQBWSSLLSX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06757769

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.84

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.867

Distribution Coefficient, logD

3.004

Water Solubility, LogSw

-4.45

Polar Surface Area

17.851

Acid Dissociation Constant (pKa)

15.73

Base Dissociation Constant (pKb)

8.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

8019-1147 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8019-1147 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-1147?
Check Price and Availability of 8019-1147, 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 8019-1147 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-1147
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-1147
  • 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 8019-1147 available by request