SC19-0444 Screening compound: {4-[(1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methyl]piperazino}(3-phenyl-1H-pyrazol-4-yl)methanone

SC19-0444 Screening compound: {4-[(1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methyl]piperazino}(3-phenyl-1H-pyrazol-4-yl)methanone
SC19-0444 Screening compound: {4-[(1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methyl]piperazino}(3-phenyl-1H-pyrazol-4-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC19-0444
{4-[(1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methyl]piperazino}(3-phenyl-1H-pyrazol-4-yl)methanone

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

SC19-0444

Molecular Formula

C23H28N6O2 (C23 H28 N6 O2)

Compound Name

{4-[(1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methyl]piperazino}(3-phenyl-1H-pyrazol-4-yl)methanone

IUPAC name

1-({1-ethyl-1H4H6H7H-pyrano[43-c]pyrazol-3-yl}methyl)-4-(3-phenyl-1H-pyrazole-4-carbonyl)piperazine

SMILES

CCn1nc(CN(CC2)CCN2C(c2c[nH]nc2-c2ccccc2)=O)c2c1CCOC2

InChI

InChI=1S/C23H28N6O2/c1-2-29-21-8-13-31-16-19(21)20(26-29)15-27-9-11-28(12-10-27)23(30)18-14-24-25-22(18)17-6-4-3-5-7-17/h3-7,14H,2,8-13,15-16H2,1H3,(H,24,25)

InChI Key

VVJNEOHJPOBSTN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32255804

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.976

Distribution Coefficient, logD

-1.645

Water Solubility, LogSw

-2.41

Polar Surface Area

67.896

Acid Dissociation Constant (pKa)

11.78

Base Dissociation Constant (pKb)

10.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.48

SC19-0444 in Drug Discovery

Included in Screening Libraries

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

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with SC19-0444 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC19-0444?
Check Price and Availability of SC19-0444, 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 SC19-0444 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC19-0444
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC19-0444
  • 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 SC19-0444 available by request