D158-0308 Screening compound: 3-(2-hydroxy-4,6-dimethylphenyl)-5-(3-hydroxypropyl)-4-(3-methoxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

D158-0308 Screening compound: 3-(2-hydroxy-4,6-dimethylphenyl)-5-(3-hydroxypropyl)-4-(3-methoxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
D158-0308 Screening compound: 3-(2-hydroxy-4,6-dimethylphenyl)-5-(3-hydroxypropyl)-4-(3-methoxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D158-0308
3-(2-hydroxy-4,6-dimethylphenyl)-5-(3-hydroxypropyl)-4-(3-methoxyphenyl)-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

D158-0308

Molecular Formula

C23H25N3O4 (C23 H25 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C23H25N3O4/c1-13-10-14(2)18(17(28)11-13)20-19-21(25-24-20)23(29)26(8-5-9-27)22(19)15-6-4-7-16(12-15)30-3/h4,6-7,10-12,22,27-28H,5,8-9H2,1-3H3,(H,24,25)/t22-/m0/s1

InChI Key

VRNJSSJQZKMSPB-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD06649262

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.578

Distribution Coefficient, logD

3.574

Water Solubility, LogSw

-3.49

Polar Surface Area

81.136

Acid Dissociation Constant (pKa)

9.42

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with D158-0308 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D158-0308?
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What is the minimum amount of D158-0308 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D158-0308
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D158-0308
  • 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 D158-0308 available by request