C467-0116 Screening compound: 1-[2-(morpholin-4-yl)-2-(pyridin-3-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]thiourea

C467-0116 Screening compound: 1-[2-(morpholin-4-yl)-2-(pyridin-3-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]thiourea
C467-0116 Screening compound: 1-[2-(morpholin-4-yl)-2-(pyridin-3-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C467-0116
1-[2-(morpholin-4-yl)-2-(pyridin-3-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]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

C467-0116

Molecular Formula

C19H21F3N4OS (C19 H21 F3 N4 OS)

Compound Name

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

IUPAC name

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

SMILES

FC(c(cc1)ccc1NC(NCC(c1cnccc1)N1CCOCC1)=S)(F)F

InChI

InChI=1S/C19H21F3N4OS/c20-19(21,22)15-3-5-16(6-4-15)25-18(28)24-13-17(14-2-1-7-23-12-14)26-8-10-27-11-9-26/h1-7,12,17H,8-11,13H2,(H2,24,25,28)/t17-/m0/s1

InChI Key

YAWFVSXUEPTFRZ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD04467277

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.662

Distribution Coefficient, logD

2.618

Water Solubility, LogSw

-2.76

Polar Surface Area

40.799

Acid Dissociation Constant (pKa)

14.27

Base Dissociation Constant (pKb)

6.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.80

C467-0116 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C467-0116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C467-0116?
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What is the minimum amount of C467-0116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C467-0116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C467-0116
  • 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 C467-0116 available by request