1731-1670 Screening compound: N-phenylazepane-1-carbothioamide

1731-1670 Screening compound: N-phenylazepane-1-carbothioamide
1731-1670 Screening compound: N-phenylazepane-1-carbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1731-1670
N-phenylazepane-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

1731-1670

Molecular Formula

C13H18N2S (C13 H18 N2 S)

Compound Name

N-phenylazepane-1-carbothioamide

IUPAC name

N-phenylazepane-1-carbothioamide

SMILES

S=C(Nc1ccccc1)N1CCCCCC1

InChI

InChI=1S/C13H18N2S/c16-13(14-12-8-4-3-5-9-12)15-10-6-1-2-7-11-15/h3-5,8-9H,1-2,6-7,10-11H2,(H,14,16)

InChI Key

ULNNAURUINOGHW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00458615

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

234.37

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.530

Distribution Coefficient, logD

3.530

Water Solubility, LogSw

-3.70

Polar Surface Area

11.468

Acid Dissociation Constant (pKa)

15.07

Base Dissociation Constant (pKb)

2.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

1731-1670 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1731-1670 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1731-1670?
Check Price and Availability of 1731-1670, 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 1731-1670 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1731-1670
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1731-1670
  • 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 1731-1670 available by request