D012-0190 Screening compound: N-[4-(methylsulfanyl)phenyl]-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxamide

D012-0190 Screening compound: N-[4-(methylsulfanyl)phenyl]-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxamide
D012-0190 Screening compound: N-[4-(methylsulfanyl)phenyl]-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D012-0190
N-[4-(methylsulfanyl)phenyl]-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxamide

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

D012-0190

Molecular Formula

C18H19F3N4OS (C18 H19 F3 N4 OS)

Compound Name

N-[4-(methylsulfanyl)phenyl]-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxamide

IUPAC name

N-[4-(methylsulfanyl)phenyl]-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxamide

SMILES

CSc(cc1)ccc1NC(N(CC1)CCN1c1ncc(C(F)(F)F)cc1)=O

InChI

InChI=1S/C18H19F3N4OS/c1-27-15-5-3-14(4-6-15)23-17(26)25-10-8-24(9-11-25)16-7-2-13(12-22-16)18(19,20)21/h2-7,12H,8-11H2,1H3,(H,23,26)

InChI Key

ADTZYTVAVOQZEK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14810743

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.362

Distribution Coefficient, logD

4.362

Water Solubility, LogSw

-4.04

Polar Surface Area

37.569

Acid Dissociation Constant (pKa)

13.68

Base Dissociation Constant (pKb)

3.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D012-0190 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D012-0190 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D012-0190?
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What is the minimum amount of D012-0190 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D012-0190
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D012-0190
  • 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 D012-0190 available by request