D074-0503 Screening compound: 4-(4-butoxy-3-ethoxyphenyl)-5-butyl-3-(2-hydroxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

D074-0503 Screening compound: 4-(4-butoxy-3-ethoxyphenyl)-5-butyl-3-(2-hydroxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
D074-0503 Screening compound: 4-(4-butoxy-3-ethoxyphenyl)-5-butyl-3-(2-hydroxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D074-0503
4-(4-butoxy-3-ethoxyphenyl)-5-butyl-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

D074-0503

Molecular Formula

C27H33N3O4 (C27 H33 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

CCCCN(C(c1c2[nH]nc1-c(cccc1)c1O)c(cc1)cc(OCC)c1OCCCC)C2=O

InChI

InChI=1S/C27H33N3O4/c1-4-7-15-30-26(18-13-14-21(34-16-8-5-2)22(17-18)33-6-3)23-24(28-29-25(23)27(30)32)19-11-9-10-12-20(19)31/h9-14,17,26,31H,4-8,15-16H2,1-3H3,(H,28,29)/t26-/m0/s1

InChI Key

MWESWAIZEWNEKM-SANMLTNESA-N

MDL Number (MFCD)

MFCD06647618

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

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.164

Distribution Coefficient, logD

6.153

Water Solubility, LogSw

-5.20

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

D074-0503 in Drug Discovery

Included in Screening Libraries

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 D074-0503 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D074-0503?
Check Price and Availability of D074-0503, 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 D074-0503 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D074-0503
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D074-0503
  • 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 D074-0503 available by request