K784-8465 Screening compound: N-(2,5-dimethylphenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carbothioamide

K784-8465 Screening compound: N-(2,5-dimethylphenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carbothioamide
K784-8465 Screening compound: N-(2,5-dimethylphenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-8465
N-(2,5-dimethylphenyl)-4-[methyl(propan-2-yl)amino]piperidine-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

K784-8465

Molecular Formula

C18H29N3S (C18 H29 N3 S)

Compound Name

N-(2,5-dimethylphenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carbothioamide

IUPAC name

N-(25-dimethylphenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carbothioamide

SMILES

CC(C)N(C)C(CC1)CCN1C(Nc1c(C)ccc(C)c1)=S

InChI

InChI=1S/C18H29N3S/c1-13(2)20(5)16-8-10-21(11-9-16)18(22)19-17-12-14(3)6-7-15(17)4/h6-7,12-13,16H,8-11H2,1-5H3,(H,19,22)

InChI Key

WOJHEVIJRGNWEM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03452113

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.51

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.158

Distribution Coefficient, logD

0.681

Water Solubility, LogSw

-4.06

Polar Surface Area

12.857

Acid Dissociation Constant (pKa)

15.01

Base Dissociation Constant (pKb)

10.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.10

K784-8465 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with K784-8465 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-8465?
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What is the minimum amount of K784-8465 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-8465
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-8465
  • 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 K784-8465 available by request