C561-2107 Screening compound: 3-[1-(3,4-dimethylphenyl)-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one

C561-2107 Screening compound: 3-[1-(3,4-dimethylphenyl)-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one
C561-2107 Screening compound: 3-[1-(3,4-dimethylphenyl)-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-2107
3-[1-(3,4-dimethylphenyl)-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl]-1-(4-phenylpiperazin-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

C561-2107

Molecular Formula

C30H35N5O (C30 H35 N5 O)

Compound Name

3-[1-(3,4-dimethylphenyl)-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one

IUPAC name

3-[1-(34-dimethylphenyl)-346-trimethyl-1H-pyrazolo[34-b]pyridin-5-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one

SMILES

Cc(c1c(C)c(CCC(N(CC2)CCN2c2ccccc2)=O)c(C)nc11)nn1-c1cc(C)c(C)cc1

InChI

InChI=1S/C30H35N5O/c1-20-11-12-26(19-21(20)2)35-30-29(24(5)32-35)22(3)27(23(4)31-30)13-14-28(36)34-17-15-33(16-18-34)25-9-7-6-8-10-25/h6-12,19H,13-18H2,1-5H3

InChI Key

NFMMQKZHVAFEJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14771356

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.64

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.590

Distribution Coefficient, logD

5.578

Water Solubility, LogSw

-5.75

Polar Surface Area

43.592

Acid Dissociation Constant (pKa)

20.63

Base Dissociation Constant (pKb)

5.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.70

C561-2107 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C561-2107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-2107?
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What is the minimum amount of C561-2107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-2107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-2107
  • 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 C561-2107 available by request