D372-0042 Screening compound: (4-chlorophenyl)methyl 5-(2-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate

D372-0042 Screening compound: (4-chlorophenyl)methyl 5-(2-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
D372-0042 Screening compound: (4-chlorophenyl)methyl 5-(2-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D372-0042
(4-chlorophenyl)methyl 5-(2-methoxyphenyl)-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

D372-0042

Molecular Formula

C22H15ClF3N3O3 (C22 H15 ClF3 N3 O3)

Compound Name

(4-chlorophenyl)methyl 5-(2-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate

IUPAC name

(4-chlorophenyl)methyl 5-(2-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine-3-carboxylate

SMILES

COc(cccc1)c1-c(cc(C(F)(F)F)n1nc2)nc1c2C(OCc(cc1)ccc1Cl)=O

InChI

InChI=1S/C22H15ClF3N3O3/c1-31-18-5-3-2-4-15(18)17-10-19(22(24,25)26)29-20(28-17)16(11-27-29)21(30)32-12-13-6-8-14(23)9-7-13/h2-11H,12H2,1H3

InChI Key

KAWRCMQDKVDMOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10702440

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.83

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.610

Distribution Coefficient, logD

5.610

Water Solubility, LogSw

-5.94

Polar Surface Area

47.656

Acid Dissociation Constant (pKa)

28.04

Base Dissociation Constant (pKb)

0.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

D372-0042 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D372-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D372-0042?
Check Price and Availability of D372-0042, 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 D372-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D372-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D372-0042
  • 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 D372-0042 available by request