D372-0194 Screening compound: 1-(adamantan-1-yl)propan-2-yl 5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate

D372-0194 Screening compound: 1-(adamantan-1-yl)propan-2-yl 5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
D372-0194 Screening compound: 1-(adamantan-1-yl)propan-2-yl 5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D372-0194
1-(adamantan-1-yl)propan-2-yl 5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate

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

D372-0194

Molecular Formula

C28H30F3N3O2 (C28 H30 F3 N3 O2)

Compound Name

1-(adamantan-1-yl)propan-2-yl 5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate

IUPAC name

1-(adamantan-1-yl)propan-2-yl 5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine-3-carboxylate

SMILES

CC(CC1(CC(C2)C3)CC3CC2C1)OC(c(cnn1c(C(F)(F)F)c2)c1nc2-c1ccc(C)cc1)=O

InChI

InChI=1S/C28H30F3N3O2/c1-16-3-5-21(6-4-16)23-10-24(28(29,30)31)34-25(33-23)22(15-32-34)26(35)36-17(2)11-27-12-18-7-19(13-27)9-20(8-18)14-27/h3-6,10,15,17-20H,7-9,11-14H2,1-2H3/t17-,18?,19?,20?,27?/m0/s1

InChI Key

BGUAJXSGUIINID-AWYKWWOESA-N

MDL Number (MFCD)

MFCD10702362

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

8.208

Distribution Coefficient, logD

8.208

Water Solubility, LogSw

-5.59

Polar Surface Area

39.245

Acid Dissociation Constant (pKa)

25.83

Base Dissociation Constant (pKb)

1.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.60

D372-0194 in Drug Discovery

Included in Screening Libraries

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

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 D372-0194 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D372-0194?
Check Price and Availability of D372-0194, 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 D372-0194 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D372-0194
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D372-0194
  • 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 D372-0194 available by request