C390-0645 Screening compound: 4-(2,4-dichlorophenyl)-3-(3-methoxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

C390-0645 Screening compound: 4-(2,4-dichlorophenyl)-3-(3-methoxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
C390-0645 Screening compound: 4-(2,4-dichlorophenyl)-3-(3-methoxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C390-0645
4-(2,4-dichlorophenyl)-3-(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

C390-0645

Molecular Formula

C18H13Cl2N3O2 (C18 H13 Cl2 N3 O2)

Compound Name

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

IUPAC name

4-(24-dichlorophenyl)-3-(3-methoxyphenyl)-1H4H5H6H-pyrrolo[34-c]pyrazol-6-one

SMILES

COc1cccc(-c2n[nH]c3c2C(c(ccc(Cl)c2)c2Cl)NC3=O)c1

InChI

InChI=1S/C18H13Cl2N3O2/c1-25-11-4-2-3-9(7-11)15-14-16(21-18(24)17(14)23-22-15)12-6-5-10(19)8-13(12)20/h2-8,16H,1H3,(H,21,24)(H,22,23)/t16-/m1/s1

InChI Key

QXDVNQXPPZKRQH-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD08557292

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.23

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.411

Distribution Coefficient, logD

4.411

Water Solubility, LogSw

-4.67

Polar Surface Area

57.588

Acid Dissociation Constant (pKa)

11.53

Base Dissociation Constant (pKb)

-2.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.10

C390-0645 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C390-0645 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C390-0645?
Check Price and Availability of C390-0645, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C390-0645 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C390-0645
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C390-0645
  • 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 C390-0645 available by request