D074-0283 Screening compound: 4-(4-ethylphenyl)-3-(2-hydroxyphenyl)-5-[2-(4-methoxyphenyl)ethyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

D074-0283 Screening compound: 4-(4-ethylphenyl)-3-(2-hydroxyphenyl)-5-[2-(4-methoxyphenyl)ethyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
D074-0283 Screening compound: 4-(4-ethylphenyl)-3-(2-hydroxyphenyl)-5-[2-(4-methoxyphenyl)ethyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D074-0283
4-(4-ethylphenyl)-3-(2-hydroxyphenyl)-5-[2-(4-methoxyphenyl)ethyl]-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

D074-0283

Molecular Formula

C28H27N3O3 (C28 H27 N3 O3)

Compound Name

4-(4-ethylphenyl)-3-(2-hydroxyphenyl)-5-[2-(4-methoxyphenyl)ethyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

IUPAC name

4-(4-ethylphenyl)-3-(2-hydroxyphenyl)-5-[2-(4-methoxyphenyl)ethyl]-1H4H5H6H-pyrrolo[34-c]pyrazol-6-one

SMILES

CCc1ccc(C(c2c3[nH]nc2-c(cccc2)c2O)N(CCc(cc2)ccc2OC)C3=O)cc1

InChI

InChI=1S/C28H27N3O3/c1-3-18-8-12-20(13-9-18)27-24-25(22-6-4-5-7-23(22)32)29-30-26(24)28(33)31(27)17-16-19-10-14-21(34-2)15-11-19/h4-15,27,32H,3,16-17H2,1-2H3,(H,29,30)/t27-/m0/s1

InChI Key

LSQPGXDYDGGYCW-MHZLTWQESA-N

MDL Number (MFCD)

MFCD06646666

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.374

Distribution Coefficient, logD

6.363

Water Solubility, LogSw

-5.37

Polar Surface Area

64.209

Acid Dissociation Constant (pKa)

8.97

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.40

D074-0283 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D074-0283 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D074-0283?
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What is the minimum amount of D074-0283 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D074-0283
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D074-0283
  • 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 D074-0283 available by request