D074-0004 Screening compound: 4-(3-bromophenyl)-3-(2-hydroxyphenyl)-5-[(oxolan-2-yl)methyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

D074-0004 Screening compound: 4-(3-bromophenyl)-3-(2-hydroxyphenyl)-5-[(oxolan-2-yl)methyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
D074-0004 Screening compound: 4-(3-bromophenyl)-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 D074-0004
4-(3-bromophenyl)-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

D074-0004

Molecular Formula

C22H20BrN3O3 (C22 H20 BrN3 O3)

Compound Name

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

IUPAC name

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

SMILES

Oc(cccc1)c1-c1n[nH]c2c1C(c1cccc(Br)c1)N(CC1OCCC1)C2=O

InChI

InChI=1S/C22H20BrN3O3/c23-14-6-3-5-13(11-14)21-18-19(16-8-1-2-9-17(16)27)24-25-20(18)22(28)26(21)12-15-7-4-10-29-15/h1-3,5-6,8-9,11,15,21,27H,4,7,10,12H2,(H,24,25)

InChI Key

YVKFBPXSAREMDD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06646658

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.32

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

4.595

Distribution Coefficient, logD

4.583

Water Solubility, LogSw

-3.94

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

D074-0004 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

Nucleoside Mimetics Library (2197 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D074-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D074-0004?
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What is the minimum amount of D074-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D074-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D074-0004
  • 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 D074-0004 available by request