C561-0770 Screening compound: 3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[1-(thiophen-2-yl)ethyl]propanamide

C561-0770 Screening compound: 3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[1-(thiophen-2-yl)ethyl]propanamide
C561-0770 Screening compound: 3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[1-(thiophen-2-yl)ethyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-0770
3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[1-(thiophen-2-yl)ethyl]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

C561-0770

Molecular Formula

C24H25FN4OS (C24 H25 FN4 OS)

Compound Name

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

IUPAC name

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

SMILES

CC(c1cccs1)NC(CCc1c(C)n2nc(C)c(-c(cc3)ccc3F)c2nc1C)=O

InChI

InChI=1S/C24H25FN4OS/c1-14-20(11-12-22(30)26-15(2)21-6-5-13-31-21)17(4)29-24(27-14)23(16(3)28-29)18-7-9-19(25)10-8-18/h5-10,13,15H,11-12H2,1-4H3,(H,26,30)/t15-/m0/s1

InChI Key

BBUYOVVUADPSAO-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14770397

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.961

Distribution Coefficient, logD

3.960

Water Solubility, LogSw

-4.31

Polar Surface Area

45.226

Acid Dissociation Constant (pKa)

13.65

Base Dissociation Constant (pKb)

5.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

C561-0770 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C561-0770 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-0770?
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What is the minimum amount of C561-0770 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-0770
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-0770
  • 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 C561-0770 available by request