C561-0792 Screening compound: 3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide

C561-0792 Screening compound: 3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
C561-0792 Screening compound: 3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-0792
3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]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

C561-0792

Molecular Formula

C25H30FN5O2 (C25 H30 FN5 O2)

Compound Name

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

IUPAC name

3-[3-(4-fluorophenyl)-257-trimethylpyrazolo[15-a]pyrimidin-6-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide

SMILES

Cc1nn2c(C)c(CCC(NCCCN(CCC3)C3=O)=O)c(C)nc2c1-c(cc1)ccc1F

InChI

InChI=1S/C25H30FN5O2/c1-16-21(11-12-22(32)27-13-5-15-30-14-4-6-23(30)33)18(3)31-25(28-16)24(17(2)29-31)19-7-9-20(26)10-8-19/h7-10H,4-6,11-15H2,1-3H3,(H,27,32)

InChI Key

CVNYQFCIGJCASI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14770414

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.526

Distribution Coefficient, logD

1.524

Water Solubility, LogSw

-2.12

Polar Surface Area

62.398

Acid Dissociation Constant (pKa)

15.38

Base Dissociation Constant (pKb)

5.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

C561-0792 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C561-0792 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-0792?
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What is the minimum amount of C561-0792 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-0792
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-0792
  • 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 C561-0792 available by request