D372-0047 Screening compound: (2-nitrophenyl)methyl 5-(2-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate

D372-0047 Screening compound: (2-nitrophenyl)methyl 5-(2-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
D372-0047 Screening compound: (2-nitrophenyl)methyl 5-(2-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D372-0047
(2-nitrophenyl)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

D372-0047

Molecular Formula

C22H15F3N4O5 (C22 H15 F3 N4 O5)

Compound Name

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

IUPAC name

(2-nitrophenyl)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(cccc1)c1[N+]([O-])=O)=O

InChI

InChI=1S/C22H15F3N4O5/c1-33-18-9-5-3-7-14(18)16-10-19(22(23,24)25)28-20(27-16)15(11-26-28)21(30)34-12-13-6-2-4-8-17(13)29(31)32/h2-11H,12H2,1H3

InChI Key

DPAVTPUBRSHAAS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10702570

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.38

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.914

Distribution Coefficient, logD

4.914

Water Solubility, LogSw

-4.72

Polar Surface Area

80.736

Acid Dissociation Constant (pKa)

27.78

Base Dissociation Constant (pKb)

0.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

References: we are preparing a list of scientific research reports with D372-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D372-0047?
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What is the minimum amount of D372-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D372-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D372-0047
  • 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 D372-0047 available by request