3209-1053 Screening compound: 1-[5-(3,4-dichlorophenyl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carbonyl]-4-(2-methoxyphenyl)piperazine

3209-1053 Screening compound: 1-[5-(3,4-dichlorophenyl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carbonyl]-4-(2-methoxyphenyl)piperazine
3209-1053 Screening compound: 1-[5-(3,4-dichlorophenyl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carbonyl]-4-(2-methoxyphenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3209-1053
1-[5-(3,4-dichlorophenyl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carbonyl]-4-(2-methoxyphenyl)piperazine

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

3209-1053

Molecular Formula

C25H24Cl2F3N5O2 (C25 H24 Cl2 F3 N5 O2)

Compound Name

1-[5-(3,4-dichlorophenyl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carbonyl]-4-(2-methoxyphenyl)piperazine

IUPAC name

1-[5-(34-dichlorophenyl)-7-(trifluoromethyl)-4H5H6H7H-pyrazolo[15-a]pyrimidine-2-carbonyl]-4-(2-methoxyphenyl)piperazine

SMILES

COc(cccc1)c1N(CC1)CCN1C(c1nn(C(CC(c(cc2)cc(Cl)c2Cl)N2)C(F)(F)F)c2c1)=O

InChI

InChI=1S/C25H24Cl2F3N5O2/c1-37-21-5-3-2-4-20(21)33-8-10-34(11-9-33)24(36)19-14-23-31-18(15-6-7-16(26)17(27)12-15)13-22(25(28,29)30)35(23)32-19/h2-7,12,14,18,22,31H,8-11,13H2,1H3

InChI Key

NLAWAFFGTCMRHA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01923829

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

554.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.835

Distribution Coefficient, logD

5.835

Water Solubility, LogSw

-6.13

Polar Surface Area

55.004

Acid Dissociation Constant (pKa)

17.64

Base Dissociation Constant (pKb)

5.56

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.00

3209-1053 in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3209-1053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3209-1053?
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What is the minimum amount of 3209-1053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3209-1053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3209-1053
  • 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 3209-1053 available by request