D074-0006 Screening compound: 4-(3,4-dichlorophenyl)-3-(2-hydroxyphenyl)-5-[(oxolan-2-yl)methyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

D074-0006 Screening compound: 4-(3,4-dichlorophenyl)-3-(2-hydroxyphenyl)-5-[(oxolan-2-yl)methyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
D074-0006 Screening compound: 4-(3,4-dichlorophenyl)-3-(2-hydroxyphenyl)-5-[(oxolan-2-yl)methyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D074-0006
4-(3,4-dichlorophenyl)-3-(2-hydroxyphenyl)-5-[(oxolan-2-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

D074-0006

Molecular Formula

C22H19Cl2N3O3 (C22 H19 Cl2 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

Oc(cccc1)c1-c1n[nH]c2c1C(c(cc1)cc(Cl)c1Cl)N(CC1OCCC1)C2=O

InChI

InChI=1S/C22H19Cl2N3O3/c23-15-8-7-12(10-16(15)24)21-18-19(14-5-1-2-6-17(14)28)25-26-20(18)22(29)27(21)11-13-4-3-9-30-13/h1-2,5-8,10,13,21,28H,3-4,9,11H2,(H,25,26)

InChI Key

YJYDBNMPKNIQRF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06648275

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.32

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

5.216

Distribution Coefficient, logD

5.204

Water Solubility, LogSw

-5.16

Polar Surface Area

65.341

Acid Dissociation Constant (pKa)

8.97

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

27.30

D074-0006 in Drug Discovery

Included in Screening Libraries

Nucleoside Mimetics Library (2197 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D074-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D074-0006?
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What is the minimum amount of D074-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D074-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D074-0006
  • 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 D074-0006 available by request