C561-1572 Screening compound: 3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]propan-1-one

C561-1572 Screening compound: 3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]propan-1-one
C561-1572 Screening compound: 3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-1572
3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]propan-1-one

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

C561-1572

Molecular Formula

C31H37N5O3 (C31 H37 N5 O3)

Compound Name

3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]propan-1-one

IUPAC name

3-[2-(24-dimethoxyphenyl)-57-dimethylpyrazolo[15-a]pyrimidin-6-yl]-1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]propan-1-one

SMILES

CC(CN(CC1)C(CCc(c(C)nc2c3)c(C)n2nc3-c(ccc(OC)c2)c2OC)=O)N1c1cc(C)ccc1

InChI

InChI=1S/C31H37N5O3/c1-20-8-7-9-24(16-20)35-15-14-34(19-21(35)2)31(37)13-12-26-22(3)32-30-18-28(33-36(30)23(26)4)27-11-10-25(38-5)17-29(27)39-6/h7-11,16-18,21H,12-15,19H2,1-6H3/t21-/m0/s1

InChI Key

DATUGIJAONQYIM-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14771031

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

527.67

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.983

Distribution Coefficient, logD

4.974

Water Solubility, LogSw

-4.65

Polar Surface Area

53.495

Acid Dissociation Constant (pKa)

21.75

Base Dissociation Constant (pKb)

5.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.70

C561-1572 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C561-1572 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-1572?
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What is the minimum amount of C561-1572 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-1572
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-1572
  • 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 C561-1572 available by request