C561-0643 Screening compound: 3-{5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl}-N-[2-(4-ethoxyphenyl)ethyl]propanamide

C561-0643 Screening compound: 3-{5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl}-N-[2-(4-ethoxyphenyl)ethyl]propanamide
C561-0643 Screening compound: 3-{5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl}-N-[2-(4-ethoxyphenyl)ethyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-0643
3-{5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl}-N-[2-(4-ethoxyphenyl)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

C561-0643

Molecular Formula

C27H30N4O2 (C27 H30 N4 O2)

Compound Name

3-{5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl}-N-[2-(4-ethoxyphenyl)ethyl]propanamide

IUPAC name

3-{57-dimethyl-2-phenylpyrazolo[15-a]pyrimidin-6-yl}-N-[2-(4-ethoxyphenyl)ethyl]propanamide

SMILES

CCOc1ccc(CCNC(CCc(c(C)nc2c3)c(C)n2nc3-c2ccccc2)=O)cc1

InChI

InChI=1S/C27H30N4O2/c1-4-33-23-12-10-21(11-13-23)16-17-28-27(32)15-14-24-19(2)29-26-18-25(30-31(26)20(24)3)22-8-6-5-7-9-22/h5-13,18H,4,14-17H2,1-3H3,(H,28,32)

InChI Key

GVOBHAIWXMJAPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14770294

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.128

Distribution Coefficient, logD

4.120

Water Solubility, LogSw

-4.25

Polar Surface Area

50.886

Acid Dissociation Constant (pKa)

14.24

Base Dissociation Constant (pKb)

5.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

C561-0643 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C561-0643 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-0643?
Check Price and Availability of C561-0643, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C561-0643 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-0643
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-0643
  • 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 C561-0643 available by request