C087-1211 Screening compound: 3-[2-(dimethylamino)ethyl]-3-[(thiophen-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]thiourea

C087-1211 Screening compound: 3-[2-(dimethylamino)ethyl]-3-[(thiophen-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]thiourea
C087-1211 Screening compound: 3-[2-(dimethylamino)ethyl]-3-[(thiophen-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C087-1211
3-[2-(dimethylamino)ethyl]-3-[(thiophen-2-yl)methyl]-1-[3-(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

C087-1211

Molecular Formula

C17H20F3N3S2 (C17 H20 F3 N3 S2)

Compound Name

3-[2-(dimethylamino)ethyl]-3-[(thiophen-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]thiourea

IUPAC name

3-[2-(dimethylamino)ethyl]-3-[(thiophen-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]thiourea

SMILES

CN(C)CCN(Cc1cccs1)C(Nc1cc(C(F)(F)F)ccc1)=S

InChI

InChI=1S/C17H20F3N3S2/c1-22(2)8-9-23(12-15-7-4-10-25-15)16(24)21-14-6-3-5-13(11-14)17(18,19)20/h3-7,10-11H,8-9,12H2,1-2H3,(H,21,24)

InChI Key

ODGZIQKDORMCMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05031383

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.49

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.662

Distribution Coefficient, logD

2.002

Water Solubility, LogSw

-4.38

Polar Surface Area

15.562

Acid Dissociation Constant (pKa)

12.75

Base Dissociation Constant (pKb)

10.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

C087-1211 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with C087-1211 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C087-1211?
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What is the minimum amount of C087-1211 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C087-1211
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C087-1211
  • 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 C087-1211 available by request