D074-0447 Screening compound: 3-(2-hydroxyphenyl)-4-[3-(3-methylbutoxy)phenyl]-5-propyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

D074-0447 Screening compound: 3-(2-hydroxyphenyl)-4-[3-(3-methylbutoxy)phenyl]-5-propyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
D074-0447 Screening compound: 3-(2-hydroxyphenyl)-4-[3-(3-methylbutoxy)phenyl]-5-propyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D074-0447
3-(2-hydroxyphenyl)-4-[3-(3-methylbutoxy)phenyl]-5-propyl-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

D074-0447

Molecular Formula

C25H29N3O3 (C25 H29 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C25H29N3O3/c1-4-13-28-24(17-8-7-9-18(15-17)31-14-12-16(2)3)21-22(26-27-23(21)25(28)30)19-10-5-6-11-20(19)29/h5-11,15-16,24,29H,4,12-14H2,1-3H3,(H,26,27)/t24-/m0/s1

InChI Key

WNOFILFJNBNDKL-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD06647032

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.173

Distribution Coefficient, logD

6.161

Water Solubility, LogSw

-5.26

Polar Surface Area

64.354

Acid Dissociation Constant (pKa)

8.97

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

D074-0447 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D074-0447 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D074-0447?
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What is the minimum amount of D074-0447 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D074-0447
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D074-0447
  • 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 D074-0447 available by request