D074-0499 Screening compound: 5-butyl-4-(3,4-diethoxyphenyl)-3-(2-hydroxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

D074-0499 Screening compound: 5-butyl-4-(3,4-diethoxyphenyl)-3-(2-hydroxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
D074-0499 Screening compound: 5-butyl-4-(3,4-diethoxyphenyl)-3-(2-hydroxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D074-0499
5-butyl-4-(3,4-diethoxyphenyl)-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

D074-0499

Molecular Formula

C25H29N3O4 (C25 H29 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

CCCCN(C(c1c2[nH]nc1-c(cccc1)c1O)c(cc1)cc(OCC)c1OCC)C2=O

InChI

InChI=1S/C25H29N3O4/c1-4-7-14-28-24(16-12-13-19(31-5-2)20(15-16)32-6-3)21-22(26-27-23(21)25(28)30)17-10-8-9-11-18(17)29/h8-13,15,24,29H,4-7,14H2,1-3H3,(H,26,27)/t24-/m0/s1

InChI Key

YOQJFWFLNDBJCC-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD06647363

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.015

Distribution Coefficient, logD

5.003

Water Solubility, LogSw

-4.03

Polar Surface Area

71.357

Acid Dissociation Constant (pKa)

8.97

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

References: we are preparing a list of scientific research reports with D074-0499 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D074-0499?
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What is the minimum amount of D074-0499 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D074-0499
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D074-0499
  • 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 D074-0499 available by request