7213-0757 Screening compound: N-(adamantan-2-yl)-7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

7213-0757 Screening compound: N-(adamantan-2-yl)-7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
7213-0757 Screening compound: N-(adamantan-2-yl)-7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7213-0757
N-(adamantan-2-yl)-7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[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

7213-0757

Molecular Formula

C25H26F2N4O2 (C25 H26 F2 N4 O2)

Compound Name

N-(adamantan-2-yl)-7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

IUPAC name

N-(adamantan-2-yl)-7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[15-a]pyrimidine-3-carboxamide

SMILES

COc(cc1)ccc1-c(cc(C(F)F)n1nc2)nc1c2C(NC1C2CC(C3)CC1CC3C2)=O

InChI

InChI=1S/C25H26F2N4O2/c1-33-18-4-2-15(3-5-18)20-11-21(23(26)27)31-24(29-20)19(12-28-31)25(32)30-22-16-7-13-6-14(9-16)10-17(22)8-13/h2-5,11-14,16-17,22-23H,6-10H2,1H3,(H,30,32)

InChI Key

QBVQPSVJVHISQJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02608305

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.497

Distribution Coefficient, logD

5.497

Water Solubility, LogSw

-5.35

Polar Surface Area

51.472

Acid Dissociation Constant (pKa)

14.64

Base Dissociation Constant (pKb)

1.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

7213-0757 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 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:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 7213-0757 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7213-0757?
Check Price and Availability of 7213-0757, 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 7213-0757 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7213-0757
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7213-0757
  • 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 7213-0757 available by request