D074-0331 Screening compound: 3-(2-hydroxyphenyl)-5-(3-hydroxypropyl)-4-[3-methoxy-4-(3-methylbutoxy)phenyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

D074-0331 Screening compound: 3-(2-hydroxyphenyl)-5-(3-hydroxypropyl)-4-[3-methoxy-4-(3-methylbutoxy)phenyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
D074-0331 Screening compound: 3-(2-hydroxyphenyl)-5-(3-hydroxypropyl)-4-[3-methoxy-4-(3-methylbutoxy)phenyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D074-0331
3-(2-hydroxyphenyl)-5-(3-hydroxypropyl)-4-[3-methoxy-4-(3-methylbutoxy)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

D074-0331

Molecular Formula

C26H31N3O5 (C26 H31 N3 O5)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CCOc(ccc(C(c1c2[nH]nc1-c(cccc1)c1O)N(CCCO)C2=O)c1)c1OC

InChI

InChI=1S/C26H31N3O5/c1-16(2)11-14-34-20-10-9-17(15-21(20)33-3)25-22-23(18-7-4-5-8-19(18)31)27-28-24(22)26(32)29(25)12-6-13-30/h4-5,7-10,15-16,25,30-31H,6,11-14H2,1-3H3,(H,27,28)/t25-/m0/s1

InChI Key

UORXNBHDHCEUBJ-VWLOTQADSA-N

MDL Number (MFCD)

MFCD06647729

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.505

Distribution Coefficient, logD

4.493

Water Solubility, LogSw

-3.76

Polar Surface Area

88.727

Acid Dissociation Constant (pKa)

8.97

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

D074-0331 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D074-0331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D074-0331?
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What is the minimum amount of D074-0331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D074-0331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D074-0331
  • 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 D074-0331 available by request