D074-0345 Screening compound: 3-(2-hydroxyphenyl)-5-(3-hydroxypropyl)-4-[3-(pentyloxy)phenyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

D074-0345 Screening compound: 3-(2-hydroxyphenyl)-5-(3-hydroxypropyl)-4-[3-(pentyloxy)phenyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
D074-0345 Screening compound: 3-(2-hydroxyphenyl)-5-(3-hydroxypropyl)-4-[3-(pentyloxy)phenyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D074-0345
3-(2-hydroxyphenyl)-5-(3-hydroxypropyl)-4-[3-(pentyloxy)phenyl]-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

D074-0345

Molecular Formula

C25H29N3O4 (C25 H29 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

CCCCCOc1cccc(C(c2c3[nH]nc2-c(cccc2)c2O)N(CCCO)C3=O)c1

InChI

InChI=1S/C25H29N3O4/c1-2-3-6-15-32-18-10-7-9-17(16-18)24-21-22(19-11-4-5-12-20(19)30)26-27-23(21)25(31)28(24)13-8-14-29/h4-5,7,9-12,16,24,29-30H,2-3,6,8,13-15H2,1H3,(H,26,27)/t24-/m0/s1

InChI Key

IGHRJCNECFGURO-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD06648000

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.098

Distribution Coefficient, logD

5.087

Water Solubility, LogSw

-4.50

Polar Surface Area

81.010

Acid Dissociation Constant (pKa)

8.97

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

D074-0345 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Nucleic Acid Ligands (8311 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D074-0345 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D074-0345?
Check Price and Availability of D074-0345, 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 D074-0345 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D074-0345
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D074-0345
  • 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 D074-0345 available by request