C561-0752 Screening compound: 3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[(2-methoxyphenyl)methyl]propanamide

C561-0752 Screening compound: 3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[(2-methoxyphenyl)methyl]propanamide
C561-0752 Screening compound: 3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[(2-methoxyphenyl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-0752
3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[(2-methoxyphenyl)methyl]propanamide

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

C561-0752

Molecular Formula

C26H27FN4O2 (C26 H27 FN4 O2)

Compound Name

3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[(2-methoxyphenyl)methyl]propanamide

IUPAC name

3-[3-(4-fluorophenyl)-257-trimethylpyrazolo[15-a]pyrimidin-6-yl]-N-[(2-methoxyphenyl)methyl]propanamide

SMILES

Cc1nn2c(C)c(CCC(NCc(cccc3)c3OC)=O)c(C)nc2c1-c(cc1)ccc1F

InChI

InChI=1S/C26H27FN4O2/c1-16-22(13-14-24(32)28-15-20-7-5-6-8-23(20)33-4)18(3)31-26(29-16)25(17(2)30-31)19-9-11-21(27)12-10-19/h5-12H,13-15H2,1-4H3,(H,28,32)

InChI Key

RHABCYHVFCULGR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14770382

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.082

Distribution Coefficient, logD

4.080

Water Solubility, LogSw

-4.54

Polar Surface Area

52.675

Acid Dissociation Constant (pKa)

12.87

Base Dissociation Constant (pKb)

5.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

References: we are preparing a list of scientific research reports with C561-0752 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-0752?
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What is the minimum amount of C561-0752 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-0752
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-0752
  • 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 C561-0752 available by request