8015-0221 Screening compound: (5R,7S)-N~2~-(1-adamantylmethyl)-5-(2-furyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide

8015-0221 Screening compound: (5R,7S)-N~2~-(1-adamantylmethyl)-5-(2-furyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
8015-0221 Screening compound: (5R,7S)-N~2~-(1-adamantylmethyl)-5-(2-furyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-0221
(5R,7S)-N~2~-(1-adamantylmethyl)-5-(2-furyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[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

8015-0221

Molecular Formula

C23H27F3N4O2 (C23 H27 F3 N4 O2)

Compound Name

(5R,7S)-N~2~-(1-adamantylmethyl)-5-(2-furyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide

IUPAC name

(5R7S)-N-[(adamantan-1-yl)methyl]-5-(furan-2-yl)-7-(trifluoromethyl)-4H5H6H7H-pyrazolo[15-a]pyrimidine-2-carboxamide

SMILES

O=C(c1nn([C@H](C[C@@H](c2ccco2)N2)C(F)(F)F)c2c1)NCC1(CC(C2)C3)CC3CC2C1

InChI

InChI=1S/C23H27F3N4O2/c24-23(25,26)19-7-16(18-2-1-3-32-18)28-20-8-17(29-30(19)20)21(31)27-12-22-9-13-4-14(10-22)6-15(5-13)11-22/h1-3,8,13-16,19,28H,4-7,9-12H2,(H,27,31)/t13?,14?,15?,16-,19-,22?/m1/s1

InChI Key

LBOPPVHNGFXFDM-NHDLTIKGSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.219

Distribution Coefficient, logD

5.219

Water Solubility, LogSw

-5.42

Polar Surface Area

60.791

Acid Dissociation Constant (pKa)

14.44

Base Dissociation Constant (pKb)

-1.83

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

65.22

8015-0221 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 compounds)

Antiviral Annotated Library (21441 compounds)

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

Human GPCR Annotated Library (5539 compounds)

Protein-Protein Interaction Library (218420 compounds)

Epigenetics Focused Set (26518 compounds)

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

Included in 1.7M Stock Database

Structure:
  • Mimetics
  • 3D
Mechanism of action:
  • PPI modulators
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8015-0221 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-0221?
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What is the minimum amount of 8015-0221 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-0221
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-0221
  • 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 8015-0221 available by request