C162-0159 Screening compound: 1-[4-(trifluoromethyl)-5H,6H,7H,8H,9H-cyclohepta[d]pyrimidin-2-yl]azepane

C162-0159 Screening compound: 1-[4-(trifluoromethyl)-5H,6H,7H,8H,9H-cyclohepta[d]pyrimidin-2-yl]azepane
C162-0159 Screening compound: 1-[4-(trifluoromethyl)-5H,6H,7H,8H,9H-cyclohepta[d]pyrimidin-2-yl]azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound C162-0159
1-[4-(trifluoromethyl)-5H,6H,7H,8H,9H-cyclohepta[d]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

C162-0159

Molecular Formula

C16H22F3N3 (C16 H22 F3 N3)

Compound Name

1-[4-(trifluoromethyl)-5H,6H,7H,8H,9H-cyclohepta[d]pyrimidin-2-yl]azepane

IUPAC name

1-[4-(trifluoromethyl)-5H6H7H8H9H-cyclohepta[d]pyrimidin-2-yl]azepane

SMILES

FC(c1nc(N2CCCCCC2)nc2c1CCCCC2)(F)F

InChI

InChI=1S/C16H22F3N3/c17-16(18,19)14-12-8-4-3-5-9-13(12)20-15(21-14)22-10-6-1-2-7-11-22/h1-11H2

InChI Key

YKWFKHMEELHQAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06164385

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.37

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.319

Distribution Coefficient, logD

5.319

Water Solubility, LogSw

-5.47

Polar Surface Area

24.043

Acid Dissociation Constant (pKa)

19.79

Base Dissociation Constant (pKb)

4.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

75.00

C162-0159 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS BBB Library (22607 compounds)

GPCR Targeted Library (31838 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Agro:
  • Agro
  • Agro
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C162-0159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C162-0159?
Check Price and Availability of C162-0159, 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 C162-0159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C162-0159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C162-0159
  • 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 C162-0159 available by request