8015-6177 Screening compound: N~3~-(1-adamantylmethyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

8015-6177 Screening compound: N~3~-(1-adamantylmethyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
8015-6177 Screening compound: N~3~-(1-adamantylmethyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-6177
N~3~-(1-adamantylmethyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-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

8015-6177

Molecular Formula

C25H28F4N4O (C25 H28 F4 N4 O)

Compound Name

N~3~-(1-adamantylmethyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

IUPAC name

N-[(adamantan-1-yl)methyl]-5-(4-fluorophenyl)-7-(trifluoromethyl)-4H5H6H7H-pyrazolo[15-a]pyrimidine-3-carboxamide

SMILES

O=C(c1c(NC(CC2C(F)(F)F)c(cc3)ccc3F)n2nc1)NCC1(CC(C2)C3)CC3CC2C1

InChI

InChI=1S/C25H28F4N4O/c26-18-3-1-17(2-4-18)20-8-21(25(27,28)29)33-22(32-20)19(12-31-33)23(34)30-13-24-9-14-5-15(10-24)7-16(6-14)11-24/h1-4,12,14-16,20-21,32H,5-11,13H2,(H,30,34)

InChI Key

NBTQTVLKZPZYEO-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.52

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.155

Distribution Coefficient, logD

6.155

Water Solubility, LogSw

-5.84

Polar Surface Area

49.961

Acid Dissociation Constant (pKa)

13.90

Base Dissociation Constant (pKb)

-1.79

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

60.00

8015-6177 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Ion Channels
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8015-6177 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-6177?
Check Price and Availability of 8015-6177, 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 8015-6177 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-6177
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-6177
  • 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 8015-6177 available by request