D074-0454 Screening compound: 4-[3-ethoxy-4-(3-methylbutoxy)phenyl]-3-(2-hydroxyphenyl)-5-propyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

D074-0454 Screening compound: 4-[3-ethoxy-4-(3-methylbutoxy)phenyl]-3-(2-hydroxyphenyl)-5-propyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
D074-0454 Screening compound: 4-[3-ethoxy-4-(3-methylbutoxy)phenyl]-3-(2-hydroxyphenyl)-5-propyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D074-0454
4-[3-ethoxy-4-(3-methylbutoxy)phenyl]-3-(2-hydroxyphenyl)-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

D074-0454

Molecular Formula

C27H33N3O4 (C27 H33 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

CCCN(C(c1c2[nH]nc1-c(cccc1)c1O)c(cc1)cc(OCC)c1OCCC(C)C)C2=O

InChI

InChI=1S/C27H33N3O4/c1-5-14-30-26(18-11-12-21(22(16-18)33-6-2)34-15-13-17(3)4)23-24(28-29-25(23)27(30)32)19-9-7-8-10-20(19)31/h7-12,16-17,26,31H,5-6,13-15H2,1-4H3,(H,28,29)/t26-/m0/s1

InChI Key

ZRLKPKLOBXSLGT-SANMLTNESA-N

MDL Number (MFCD)

MFCD06651354

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.005

Distribution Coefficient, logD

5.993

Water Solubility, LogSw

-5.26

Polar Surface Area

71.651

Acid Dissociation Constant (pKa)

8.97

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.70

D074-0454 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D074-0454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D074-0454?
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What is the minimum amount of D074-0454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D074-0454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D074-0454
  • 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 D074-0454 available by request