C467-0113 Screening compound: 1-cyclohexyl-3-[2-(morpholin-4-yl)-2-(pyridin-3-yl)ethyl]thiourea

C467-0113 Screening compound: 1-cyclohexyl-3-[2-(morpholin-4-yl)-2-(pyridin-3-yl)ethyl]thiourea
C467-0113 Screening compound: 1-cyclohexyl-3-[2-(morpholin-4-yl)-2-(pyridin-3-yl)ethyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C467-0113
1-cyclohexyl-3-[2-(morpholin-4-yl)-2-(pyridin-3-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

C467-0113

Molecular Formula

C18H28N4OS (C18 H28 N4 OS)

Compound Name

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

IUPAC name

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

SMILES

S=C(NCC(c1cnccc1)N1CCOCC1)NC1CCCCC1

InChI

InChI=1S/C18H28N4OS/c24-18(21-16-6-2-1-3-7-16)20-14-17(15-5-4-8-19-13-15)22-9-11-23-12-10-22/h4-5,8,13,16-17H,1-3,6-7,9-12,14H2,(H2,20,21,24)/t17-/m0/s1

InChI Key

XSKPRDQOTXVULU-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD04467275

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.929

Distribution Coefficient, logD

1.787

Water Solubility, LogSw

-1.78

Polar Surface Area

41.846

Acid Dissociation Constant (pKa)

15.98

Base Dissociation Constant (pKb)

6.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.70

C467-0113 in Drug Discovery

Included in Screening Libraries

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

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C467-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C467-0113?
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What is the minimum amount of C467-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C467-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C467-0113
  • 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 C467-0113 available by request