D174-0552 Screening compound: 4-(4-chlorophenyl)-3-(2-hydroxyphenyl)-5-[(pyridin-4-yl)methyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

D174-0552 Screening compound: 4-(4-chlorophenyl)-3-(2-hydroxyphenyl)-5-[(pyridin-4-yl)methyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
D174-0552 Screening compound: 4-(4-chlorophenyl)-3-(2-hydroxyphenyl)-5-[(pyridin-4-yl)methyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D174-0552
4-(4-chlorophenyl)-3-(2-hydroxyphenyl)-5-[(pyridin-4-yl)methyl]-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

D174-0552

Molecular Formula

C23H17ClN4O2 (C23 H17 ClN4 O2)

Compound Name

4-(4-chlorophenyl)-3-(2-hydroxyphenyl)-5-[(pyridin-4-yl)methyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

IUPAC name

4-(4-chlorophenyl)-3-(2-hydroxyphenyl)-5-[(pyridin-4-yl)methyl]-1H4H5H6H-pyrrolo[34-c]pyrazol-6-one

SMILES

Oc(cccc1)c1-c1n[nH]c2c1C(c(cc1)ccc1Cl)N(Cc1ccncc1)C2=O

InChI

InChI=1S/C23H17ClN4O2/c24-16-7-5-15(6-8-16)22-19-20(17-3-1-2-4-18(17)29)26-27-21(19)23(30)28(22)13-14-9-11-25-12-10-14/h1-12,22,29H,13H2,(H,26,27)/t22-/m1/s1

InChI Key

DCXLYLFDYRDMHY-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD06648727

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.87

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.230

Distribution Coefficient, logD

4.200

Water Solubility, LogSw

-4.47

Polar Surface Area

66.115

Acid Dissociation Constant (pKa)

8.97

Base Dissociation Constant (pKb)

6.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.70

D174-0552 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

Nucleic Acid Ligands (8311 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D174-0552 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D174-0552?
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What is the minimum amount of D174-0552 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D174-0552
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D174-0552
  • 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 D174-0552 available by request