C561-0796 Screening compound: methyl 2-{3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamido}-3-methylbutanoate

C561-0796 Screening compound: methyl 2-{3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamido}-3-methylbutanoate
C561-0796 Screening compound: methyl 2-{3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamido}-3-methylbutanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-0796
methyl 2-{3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamido}-3-methylbutanoate

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

C561-0796

Molecular Formula

C24H29FN4O3 (C24 H29 FN4 O3)

Compound Name

methyl 2-{3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamido}-3-methylbutanoate

IUPAC name

methyl 2-{3-[3-(4-fluorophenyl)-257-trimethylpyrazolo[15-a]pyrimidin-6-yl]propanamido}-3-methylbutanoate

SMILES

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

InChI

InChI=1S/C24H29FN4O3/c1-13(2)22(24(31)32-6)27-20(30)12-11-19-14(3)26-23-21(15(4)28-29(23)16(19)5)17-7-9-18(25)10-8-17/h7-10,13,22H,11-12H2,1-6H3,(H,27,30)/t22-/m0/s1

InChI Key

QFBMXUYHHPSRSF-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14770418

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.538

Distribution Coefficient, logD

3.536

Water Solubility, LogSw

-3.92

Polar Surface Area

65.842

Acid Dissociation Constant (pKa)

14.44

Base Dissociation Constant (pKb)

5.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

References: we are preparing a list of scientific research reports with C561-0796 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-0796?
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What is the minimum amount of C561-0796 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-0796
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-0796
  • 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 C561-0796 available by request