C561-2222 Screening compound: 3-[4-ethyl-2-(2-methoxyphenyl)-5-methyl-7-oxo-4H,7H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-[2-(3,4,5-trimethoxyphenyl)ethyl]propanamide

C561-2222 Screening compound: 3-[4-ethyl-2-(2-methoxyphenyl)-5-methyl-7-oxo-4H,7H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-[2-(3,4,5-trimethoxyphenyl)ethyl]propanamide
C561-2222 Screening compound: 3-[4-ethyl-2-(2-methoxyphenyl)-5-methyl-7-oxo-4H,7H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-[2-(3,4,5-trimethoxyphenyl)ethyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-2222
3-[4-ethyl-2-(2-methoxyphenyl)-5-methyl-7-oxo-4H,7H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-[2-(3,4,5-trimethoxyphenyl)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

C561-2222

Molecular Formula

C30H36N4O6 (C30 H36 N4 O6)

Compound Name

3-[4-ethyl-2-(2-methoxyphenyl)-5-methyl-7-oxo-4H,7H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-[2-(3,4,5-trimethoxyphenyl)ethyl]propanamide

IUPAC name

3-[4-ethyl-2-(2-methoxyphenyl)-5-methyl-7-oxo-4H7H-pyrazolo[15-a]pyrimidin-6-yl]-N-[2-(345-trimethoxyphenyl)ethyl]propanamide

SMILES

CCN(c1cc(-c(cccc2)c2OC)nn11)C(C)=C(CCC(NCCc(cc2OC)cc(OC)c2OC)=O)C1=O

InChI

InChI=1S/C30H36N4O6/c1-7-33-19(2)21(30(36)34-28(33)18-23(32-34)22-10-8-9-11-24(22)37-3)12-13-27(35)31-15-14-20-16-25(38-4)29(40-6)26(17-20)39-5/h8-11,16-18H,7,12-15H2,1-6H3,(H,31,35)

InChI Key

NRIPOZLRDGJZKN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14771443

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

548.64

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.991

Distribution Coefficient, logD

2.991

Water Solubility, LogSw

-3.48

Polar Surface Area

81.788

Acid Dissociation Constant (pKa)

13.78

Base Dissociation Constant (pKb)

-1.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.70

References: we are preparing a list of scientific research reports with C561-2222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-2222?
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What is the minimum amount of C561-2222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-2222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-2222
  • 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 C561-2222 available by request