C561-2000 Screening compound: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-{3,4,6-trimethyl-1-phenyl-1H-pyrazolo[3,4-b]pyridin-5-yl}propan-1-one

C561-2000 Screening compound: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-{3,4,6-trimethyl-1-phenyl-1H-pyrazolo[3,4-b]pyridin-5-yl}propan-1-one
C561-2000 Screening compound: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-{3,4,6-trimethyl-1-phenyl-1H-pyrazolo[3,4-b]pyridin-5-yl}propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-2000
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-{3,4,6-trimethyl-1-phenyl-1H-pyrazolo[3,4-b]pyridin-5-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

C561-2000

Molecular Formula

C29H33N5O2 (C29 H33 N5 O2)

Compound Name

1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-{3,4,6-trimethyl-1-phenyl-1H-pyrazolo[3,4-b]pyridin-5-yl}propan-1-one

IUPAC name

1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-{346-trimethyl-1-phenyl-1H-pyrazolo[34-b]pyridin-5-yl}propan-1-one

SMILES

Cc(c1c(C)c(CCC(N(CC2)CCN2c(cc2)ccc2OC)=O)c(C)nc11)nn1-c1ccccc1

InChI

InChI=1S/C29H33N5O2/c1-20-26(21(2)30-29-28(20)22(3)31-34(29)24-8-6-5-7-9-24)14-15-27(35)33-18-16-32(17-19-33)23-10-12-25(36-4)13-11-23/h5-13H,14-19H2,1-4H3

InChI Key

IQOBOWCNXNCEJF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14771280

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.61

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.445

Distribution Coefficient, logD

4.443

Water Solubility, LogSw

-4.58

Polar Surface Area

51.136

Acid Dissociation Constant (pKa)

20.63

Base Dissociation Constant (pKb)

5.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.50

References: we are preparing a list of scientific research reports with C561-2000 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-2000?
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What is the minimum amount of C561-2000 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-2000
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-2000
  • 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 C561-2000 available by request