D372-0046 Screening compound: methyl 2-[5-(2-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyloxy]-2-phenylacetate

D372-0046 Screening compound: methyl 2-[5-(2-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyloxy]-2-phenylacetate
D372-0046 Screening compound: methyl 2-[5-(2-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyloxy]-2-phenylacetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D372-0046
methyl 2-[5-(2-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyloxy]-2-phenylacetate

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

D372-0046

Molecular Formula

C24H18F3N3O5 (C24 H18 F3 N3 O5)

Compound Name

methyl 2-[5-(2-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyloxy]-2-phenylacetate

IUPAC name

methyl 2-[5-(2-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine-3-carbonyloxy]-2-phenylacetate

SMILES

COC(C(c1ccccc1)OC(c(cnn1c(C(F)(F)F)c2)c1nc2-c(cccc1)c1OC)=O)=O

InChI

InChI=1S/C24H18F3N3O5/c1-33-18-11-7-6-10-15(18)17-12-19(24(25,26)27)30-21(29-17)16(13-28-30)22(31)35-20(23(32)34-2)14-8-4-3-5-9-14/h3-13,20H,1-2H3/t20-/m1/s1

InChI Key

SOUVJZNGAGUYHC-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD10702588

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.696

Distribution Coefficient, logD

4.696

Water Solubility, LogSw

-4.60

Polar Surface Area

68.106

Acid Dissociation Constant (pKa)

19.49

Base Dissociation Constant (pKb)

0.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

D372-0046 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D372-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D372-0046?
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What is the minimum amount of D372-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D372-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D372-0046
  • 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 D372-0046 available by request