C130-0095 Screening compound: ethyl 4-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxylate

C130-0095 Screening compound: ethyl 4-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxylate
C130-0095 Screening compound: ethyl 4-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C130-0095
ethyl 4-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxylate

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

C130-0095

Molecular Formula

C18H18F4N4O2 (C18 H18 F4 N4 O2)

Compound Name

ethyl 4-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxylate

IUPAC name

ethyl 4-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1c1nc(C(F)(F)F)cc(-c(cc2)ccc2F)n1)=O

InChI

InChI=1S/C18H18F4N4O2/c1-2-28-17(27)26-9-7-25(8-10-26)16-23-14(11-15(24-16)18(20,21)22)12-3-5-13(19)6-4-12/h3-6,11H,2,7-10H2,1H3

InChI Key

HGOCJHXYGSLAEW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05031470

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.857

Distribution Coefficient, logD

4.857

Water Solubility, LogSw

-4.63

Polar Surface Area

43.698

Acid Dissociation Constant (pKa)

21.15

Base Dissociation Constant (pKb)

3.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

C130-0095 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 C130-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C130-0095?
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What is the minimum amount of C130-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C130-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C130-0095
  • 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 C130-0095 available by request