8019-6064 Screening compound: 5-(3,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)-2-(methoxymethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

8019-6064 Screening compound: 5-(3,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)-2-(methoxymethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
8019-6064 Screening compound: 5-(3,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)-2-(methoxymethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-6064
5-(3,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)-2-(methoxymethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

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

8019-6064

Molecular Formula

C23H18Cl2F3N3O3 (C23 H18 Cl2 F3 N3 O3)

Compound Name

5-(3,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)-2-(methoxymethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

IUPAC name

5-(34-dichlorophenyl)-3-(34-dimethoxyphenyl)-2-(methoxymethyl)-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine

SMILES

COCc1nn2c(C(F)(F)F)cc(-c(cc3)cc(Cl)c3Cl)nc2c1-c(cc1)cc(OC)c1OC

InChI

InChI=1S/C23H18Cl2F3N3O3/c1-32-11-17-21(13-5-7-18(33-2)19(9-13)34-3)22-29-16(12-4-6-14(24)15(25)8-12)10-20(23(26,27)28)31(22)30-17/h4-10H,11H2,1-3H3

InChI Key

SOLVZHYSYUNETN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10038492

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.31

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.896

Distribution Coefficient, logD

5.896

Water Solubility, LogSw

-6.49

Polar Surface Area

43.623

Acid Dissociation Constant (pKa)

28.03

Base Dissociation Constant (pKb)

3.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

8019-6064 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 8019-6064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-6064?
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What is the minimum amount of 8019-6064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-6064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-6064
  • 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 8019-6064 available by request