D158-0541 Screening compound: 3-(2-hydroxy-4,6-dimethylphenyl)-5-(2-hydroxyethyl)-4-(3-hydroxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

D158-0541 Screening compound: 3-(2-hydroxy-4,6-dimethylphenyl)-5-(2-hydroxyethyl)-4-(3-hydroxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
D158-0541 Screening compound: 3-(2-hydroxy-4,6-dimethylphenyl)-5-(2-hydroxyethyl)-4-(3-hydroxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D158-0541
3-(2-hydroxy-4,6-dimethylphenyl)-5-(2-hydroxyethyl)-4-(3-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

D158-0541

Molecular Formula

C21H21N3O4 (C21 H21 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(O)c(-c2n[nH]c3c2C(c2cc(O)ccc2)N(CCO)C3=O)c(C)c1

InChI

InChI=1S/C21H21N3O4/c1-11-8-12(2)16(15(27)9-11)18-17-19(23-22-18)21(28)24(6-7-25)20(17)13-4-3-5-14(26)10-13/h3-5,8-10,20,25-27H,6-7H2,1-2H3,(H,22,23)/t20-/m0/s1

InChI Key

TXMRTUGJGJKEDT-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD06606118

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.044

Distribution Coefficient, logD

3.040

Water Solubility, LogSw

-2.63

Polar Surface Area

91.209

Acid Dissociation Constant (pKa)

9.36

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with D158-0541 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D158-0541?
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What is the minimum amount of D158-0541 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D158-0541
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D158-0541
  • 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 D158-0541 available by request