C162-0003 Screening compound: 1-[4-(difluoromethyl)-6-(4-methylphenyl)pyrimidin-2-yl]azepane

C162-0003 Screening compound: 1-[4-(difluoromethyl)-6-(4-methylphenyl)pyrimidin-2-yl]azepane
C162-0003 Screening compound: 1-[4-(difluoromethyl)-6-(4-methylphenyl)pyrimidin-2-yl]azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound C162-0003
1-[4-(difluoromethyl)-6-(4-methylphenyl)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

C162-0003

Molecular Formula

C18H21F2N3 (C18 H21 F2 N3)

Compound Name

1-[4-(difluoromethyl)-6-(4-methylphenyl)pyrimidin-2-yl]azepane

IUPAC name

1-[4-(difluoromethyl)-6-(4-methylphenyl)pyrimidin-2-yl]azepane

SMILES

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

InChI

InChI=1S/C18H21F2N3/c1-13-6-8-14(9-7-13)15-12-16(17(19)20)22-18(21-15)23-10-4-2-3-5-11-23/h6-9,12,17H,2-5,10-11H2,1H3

InChI Key

RGBWDFNPLGEXTC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06164369

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.38

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.617

Distribution Coefficient, logD

5.616

Water Solubility, LogSw

-5.55

Polar Surface Area

21.248

Acid Dissociation Constant (pKa)

21.28

Base Dissociation Constant (pKb)

8.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

C162-0003 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system

References: we are preparing a list of scientific research reports with C162-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C162-0003?
Check Price and Availability of C162-0003, 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 C162-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C162-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C162-0003
  • 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 C162-0003 available by request