F018-0468 Screening compound: N-(adamantan-1-yl)-5-cyclopropyl-7-(difluoromethyl)-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide

F018-0468 Screening compound: N-(adamantan-1-yl)-5-cyclopropyl-7-(difluoromethyl)-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
F018-0468 Screening compound: N-(adamantan-1-yl)-5-cyclopropyl-7-(difluoromethyl)-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F018-0468
N-(adamantan-1-yl)-5-cyclopropyl-7-(difluoromethyl)-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide

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

F018-0468

Molecular Formula

C22H26F2N4O (C22 H26 F2 N4 O)

Compound Name

N-(adamantan-1-yl)-5-cyclopropyl-7-(difluoromethyl)-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide

IUPAC name

N-(adamantan-1-yl)-5-cyclopropyl-7-(difluoromethyl)-N-methylpyrazolo[15-a]pyrimidine-2-carboxamide

SMILES

CN(C1(CC(C2)C3)CC3CC2C1)C(c1nn2c(C(F)F)cc(C3CC3)nc2c1)=O

InChI

InChI=1S/C22H26F2N4O/c1-27(22-9-12-4-13(10-22)6-14(5-12)11-22)21(29)17-8-19-25-16(15-2-3-15)7-18(20(23)24)28(19)26-17/h7-8,12-15,20H,2-6,9-11H2,1H3

InChI Key

CYIXPUNAWWWEMH-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.520

Distribution Coefficient, logD

4.513

Water Solubility, LogSw

-4.35

Polar Surface Area

33.982

Acid Dissociation Constant (pKa)

20.65

Base Dissociation Constant (pKb)

5.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.20

F018-0468 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F018-0468 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F018-0468?
Check Price and Availability of F018-0468, 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 F018-0468 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F018-0468
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F018-0468
  • 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 F018-0468 available by request