D174-0676 Screening compound: 5-(3-ethoxypropyl)-3-(2-hydroxyphenyl)-4-(3-hydroxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

D174-0676 Screening compound: 5-(3-ethoxypropyl)-3-(2-hydroxyphenyl)-4-(3-hydroxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
D174-0676 Screening compound: 5-(3-ethoxypropyl)-3-(2-hydroxyphenyl)-4-(3-hydroxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D174-0676
5-(3-ethoxypropyl)-3-(2-hydroxyphenyl)-4-(3-hydroxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-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

D174-0676

Molecular Formula

C22H23N3O4 (C22 H23 N3 O4)

Compound Name

5-(3-ethoxypropyl)-3-(2-hydroxyphenyl)-4-(3-hydroxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

IUPAC name

5-(3-ethoxypropyl)-3-(2-hydroxyphenyl)-4-(3-hydroxyphenyl)-1H4H5H6H-pyrrolo[34-c]pyrazol-6-one

SMILES

CCOCCCN(C(c1c2[nH]nc1-c(cccc1)c1O)c1cc(O)ccc1)C2=O

InChI

InChI=1S/C22H23N3O4/c1-2-29-12-6-11-25-21(14-7-5-8-15(26)13-14)18-19(23-24-20(18)22(25)28)16-9-3-4-10-17(16)27/h3-5,7-10,13,21,26-27H,2,6,11-12H2,1H3,(H,23,24)/t21-/m0/s1

InChI Key

WCMHZXFDKUFBTE-NRFANRHFSA-N

MDL Number (MFCD)

MFCD06649354

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.658

Distribution Coefficient, logD

3.647

Water Solubility, LogSw

-3.35

Polar Surface Area

82.531

Acid Dissociation Constant (pKa)

8.97

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

D174-0676 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics
Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D174-0676 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D174-0676?
Check Price and Availability of D174-0676, 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 D174-0676 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D174-0676
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D174-0676
  • 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 D174-0676 available by request