C130-0213 Screening compound: 1-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]azepane

C130-0213 Screening compound: 1-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]azepane
C130-0213 Screening compound: 1-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound C130-0213
1-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]azepane

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

C130-0213

Molecular Formula

C18H20F3N3O (C18 H20 F3 N3 O)

Compound Name

1-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]azepane

IUPAC name

1-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]azepane

SMILES

COc(cc1)ccc1-c1cc(C(F)(F)F)nc(N2CCCCCC2)n1

InChI

InChI=1S/C18H20F3N3O/c1-25-14-8-6-13(7-9-14)15-12-16(18(19,20)21)23-17(22-15)24-10-4-2-3-5-11-24/h6-9,12H,2-5,10-11H2,1H3

InChI Key

DCTCFRIWIVDIQF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06164295

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.37

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.768

Distribution Coefficient, logD

5.768

Water Solubility, LogSw

-5.52

Polar Surface Area

28.792

Acid Dissociation Constant (pKa)

21.28

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

C130-0213 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C130-0213 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C130-0213?
Check Price and Availability of C130-0213, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C130-0213 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C130-0213
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C130-0213
  • 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 C130-0213 available by request