D158-0685 Screening compound: 4-(3,4-diethoxyphenyl)-3-(2-hydroxy-4,6-dimethylphenyl)-5-(2-hydroxyethyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

D158-0685 Screening compound: 4-(3,4-diethoxyphenyl)-3-(2-hydroxy-4,6-dimethylphenyl)-5-(2-hydroxyethyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
D158-0685 Screening compound: 4-(3,4-diethoxyphenyl)-3-(2-hydroxy-4,6-dimethylphenyl)-5-(2-hydroxyethyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D158-0685
4-(3,4-diethoxyphenyl)-3-(2-hydroxy-4,6-dimethylphenyl)-5-(2-hydroxyethyl)-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

D158-0685

Molecular Formula

C25H29N3O5 (C25 H29 N3 O5)

Compound Name

4-(3,4-diethoxyphenyl)-3-(2-hydroxy-4,6-dimethylphenyl)-5-(2-hydroxyethyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

IUPAC name

4-(34-diethoxyphenyl)-3-(2-hydroxy-46-dimethylphenyl)-5-(2-hydroxyethyl)-1H4H5H6H-pyrrolo[34-c]pyrazol-6-one

SMILES

CCOc(ccc(C(c1c2[nH]nc1-c(c(C)cc(C)c1)c1O)N(CCO)C2=O)c1)c1OCC

InChI

InChI=1S/C25H29N3O5/c1-5-32-18-8-7-16(13-19(18)33-6-2)24-21-22(20-15(4)11-14(3)12-17(20)30)26-27-23(21)25(31)28(24)9-10-29/h7-8,11-13,24,29-30H,5-6,9-10H2,1-4H3,(H,26,27)/t24-/m0/s1

InChI Key

JXFWVXKLNATVPV-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD06648672

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.635

Distribution Coefficient, logD

3.631

Water Solubility, LogSw

-3.59

Polar Surface Area

88.013

Acid Dissociation Constant (pKa)

9.42

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 D158-0685 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D158-0685?
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What is the minimum amount of D158-0685 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D158-0685
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D158-0685
  • 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 D158-0685 available by request