D372-0040 Screening compound: 1-[2-(trifluoromethyl)phenyl]ethyl 5-(2-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate

D372-0040 Screening compound: 1-[2-(trifluoromethyl)phenyl]ethyl 5-(2-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
D372-0040 Screening compound: 1-[2-(trifluoromethyl)phenyl]ethyl 5-(2-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D372-0040
1-[2-(trifluoromethyl)phenyl]ethyl 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

D372-0040

Molecular Formula

C24H17F6N3O3 (C24 H17 F6 N3 O3)

Compound Name

1-[2-(trifluoromethyl)phenyl]ethyl 5-(2-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate

IUPAC name

1-[2-(trifluoromethyl)phenyl]ethyl 5-(2-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine-3-carboxylate

SMILES

CC(c1c(C(F)(F)F)cccc1)OC(c(cnn1c(C(F)(F)F)c2)c1nc2-c(cccc1)c1OC)=O

InChI

InChI=1S/C24H17F6N3O3/c1-13(14-7-3-5-9-17(14)23(25,26)27)36-22(34)16-12-31-33-20(24(28,29)30)11-18(32-21(16)33)15-8-4-6-10-19(15)35-2/h3-13H,1-2H3/t13-/m0/s1

InChI Key

ULSNWMZKMDXQHZ-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD10702733

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.128

Distribution Coefficient, logD

6.128

Water Solubility, LogSw

-5.46

Polar Surface Area

46.946

Acid Dissociation Constant (pKa)

25.78

Base Dissociation Constant (pKb)

0.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.80

D372-0040 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D372-0040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D372-0040?
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What is the minimum amount of D372-0040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D372-0040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D372-0040
  • 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 D372-0040 available by request