C130-0236 Screening compound: ethyl 4-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxylate

C130-0236 Screening compound: ethyl 4-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxylate
C130-0236 Screening compound: ethyl 4-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C130-0236
ethyl 4-[4-(4-methoxyphenyl)-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

C130-0236

Molecular Formula

C19H21F3N4O3 (C19 H21 F3 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

CCOC(N(CC1)CCN1c1nc(-c(cc2)ccc2OC)cc(C(F)(F)F)n1)=O

InChI

InChI=1S/C19H21F3N4O3/c1-3-29-18(27)26-10-8-25(9-11-26)17-23-15(12-16(24-17)19(20,21)22)13-4-6-14(28-2)7-5-13/h4-7,12H,3,8-11H2,1-2H3

InChI Key

WULFBKKDXXWXFR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06164300

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.810

Distribution Coefficient, logD

4.810

Water Solubility, LogSw

-4.60

Polar Surface Area

51.241

Acid Dissociation Constant (pKa)

21.15

Base Dissociation Constant (pKb)

3.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

C130-0236 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 C130-0236 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C130-0236?
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What is the minimum amount of C130-0236 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C130-0236
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C130-0236
  • 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 C130-0236 available by request