8014-8772 Screening compound: 1-cyclohexyl-3-[2-(pyridin-4-yl)ethyl]thiourea

8014-8772 Screening compound: 1-cyclohexyl-3-[2-(pyridin-4-yl)ethyl]thiourea
8014-8772 Screening compound: 1-cyclohexyl-3-[2-(pyridin-4-yl)ethyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-8772
1-cyclohexyl-3-[2-(pyridin-4-yl)ethyl]thiourea

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

8014-8772

Molecular Formula

C14H21N3S (C14 H21 N3 S)

Compound Name

1-cyclohexyl-3-[2-(pyridin-4-yl)ethyl]thiourea

IUPAC name

1-cyclohexyl-3-[2-(pyridin-4-yl)ethyl]thiourea

SMILES

S=C(NCCc1ccncc1)NC1CCCCC1

InChI

InChI=1S/C14H21N3S/c18-14(17-13-4-2-1-3-5-13)16-11-8-12-6-9-15-10-7-12/h6-7,9-10,13H,1-5,8,11H2,(H2,16,17,18)

InChI Key

GSUSYBWTWCDYIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03820597

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

263.41

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.052

Distribution Coefficient, logD

2.007

Water Solubility, LogSw

-1.95

Polar Surface Area

30.700

Acid Dissociation Constant (pKa)

17.30

Base Dissociation Constant (pKb)

6.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

8014-8772 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8014-8772 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-8772?
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What is the minimum amount of 8014-8772 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-8772
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-8772
  • 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 8014-8772 available by request