K781-0446 Screening compound: N-(3,4-dichlorophenyl)azepane-1-carbothioamide

K781-0446 Screening compound: N-(3,4-dichlorophenyl)azepane-1-carbothioamide
K781-0446 Screening compound: N-(3,4-dichlorophenyl)azepane-1-carbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-0446
N-(3,4-dichlorophenyl)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

K781-0446

Molecular Formula

C13H16Cl2N2S (C13 H16 Cl2 N2 S)

Compound Name

N-(3,4-dichlorophenyl)azepane-1-carbothioamide

IUPAC name

N-(34-dichlorophenyl)azepane-1-carbothioamide

SMILES

S=C(Nc(cc1)cc(Cl)c1Cl)N1CCCCCC1

InChI

InChI=1S/C13H16Cl2N2S/c14-11-6-5-10(9-12(11)15)16-13(18)17-7-3-1-2-4-8-17/h5-6,9H,1-4,7-8H2,(H,16,18)

InChI Key

ZCUCTKGQEIBXLN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00662266

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

303.25

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

5.196

Distribution Coefficient, logD

5.196

Water Solubility, LogSw

-5.95

Polar Surface Area

11.468

Acid Dissociation Constant (pKa)

11.39

Base Dissociation Constant (pKb)

-0.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

References: we are preparing a list of scientific research reports with K781-0446 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-0446?
Check Price and Availability of K781-0446, 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 K781-0446 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-0446
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-0446
  • 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 K781-0446 available by request