8015-6877 Screening compound: N~2~-(1-adamantylmethyl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide

8015-6877 Screening compound: N~2~-(1-adamantylmethyl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
8015-6877 Screening compound: N~2~-(1-adamantylmethyl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-6877
N~2~-(1-adamantylmethyl)-5-(4-methoxyphenyl)-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

8015-6877

Molecular Formula

C26H31F3N4O2 (C26 H31 F3 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

COc1ccc(C(C2)Nc3cc(C(NCC4(CC(C5)C6)CC6CC5C4)=O)nn3C2C(F)(F)F)cc1

InChI

InChI=1S/C26H31F3N4O2/c1-35-19-4-2-18(3-5-19)20-9-22(26(27,28)29)33-23(31-20)10-21(32-33)24(34)30-14-25-11-15-6-16(12-25)8-17(7-15)13-25/h2-5,10,15-17,20,22,31H,6-9,11-14H2,1H3,(H,30,34)

InChI Key

GTXZOEICCVMQNJ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.081

Distribution Coefficient, logD

6.081

Water Solubility, LogSw

-5.58

Polar Surface Area

59.757

Acid Dissociation Constant (pKa)

14.44

Base Dissociation Constant (pKb)

-1.83

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

61.54

8015-6877 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

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 8015-6877 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-6877?
Check Price and Availability of 8015-6877, 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 8015-6877 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-6877
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-6877
  • 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 8015-6877 available by request