D174-0661 Screening compound: 4-(3-ethoxy-4-hydroxyphenyl)-5-(3-ethoxypropyl)-3-(2-hydroxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

D174-0661 Screening compound: 4-(3-ethoxy-4-hydroxyphenyl)-5-(3-ethoxypropyl)-3-(2-hydroxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
D174-0661 Screening compound: 4-(3-ethoxy-4-hydroxyphenyl)-5-(3-ethoxypropyl)-3-(2-hydroxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D174-0661
4-(3-ethoxy-4-hydroxyphenyl)-5-(3-ethoxypropyl)-3-(2-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

D174-0661

Molecular Formula

C24H27N3O5 (C24 H27 N3 O5)

Compound Name

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

IUPAC name

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

SMILES

CCOCCCN(C(c1c2[nH]nc1-c(cccc1)c1O)c(cc1)cc(OCC)c1O)C2=O

InChI

InChI=1S/C24H27N3O5/c1-3-31-13-7-12-27-23(15-10-11-18(29)19(14-15)32-4-2)20-21(25-26-22(20)24(27)30)16-8-5-6-9-17(16)28/h5-6,8-11,14,23,28-29H,3-4,7,12-13H2,1-2H3,(H,25,26)/t23-/m0/s1

InChI Key

LNTXPLMFUYWRMB-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD06649343

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.860

Distribution Coefficient, logD

3.848

Water Solubility, LogSw

-3.32

Polar Surface Area

88.672

Acid Dissociation Constant (pKa)

8.97

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

D174-0661 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 D174-0661 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D174-0661?
Check Price and Availability of D174-0661, 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 D174-0661 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D174-0661
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D174-0661
  • 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 D174-0661 available by request