C390-0572 Screening compound: 3-(4-methylphenyl)-4-(4-nitrophenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

C390-0572 Screening compound: 3-(4-methylphenyl)-4-(4-nitrophenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
C390-0572 Screening compound: 3-(4-methylphenyl)-4-(4-nitrophenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C390-0572
3-(4-methylphenyl)-4-(4-nitrophenyl)-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

C390-0572

Molecular Formula

C18H14N4O3 (C18 H14 N4 O3)

Compound Name

3-(4-methylphenyl)-4-(4-nitrophenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

IUPAC name

3-(4-methylphenyl)-4-(4-nitrophenyl)-1H4H5H6H-pyrrolo[34-c]pyrazol-6-one

SMILES

Cc(cc1)ccc1-c1n[nH]c2c1C(c(cc1)ccc1[N+]([O-])=O)NC2=O

InChI

InChI=1S/C18H14N4O3/c1-10-2-4-12(5-3-10)16-14-15(19-18(23)17(14)21-20-16)11-6-8-13(9-7-11)22(24)25/h2-9,15H,1H3,(H,19,23)(H,20,21)/t15-/m1/s1

InChI Key

BFDLSYOWQBIKPA-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD14755802

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.086

Distribution Coefficient, logD

3.086

Water Solubility, LogSw

-3.43

Polar Surface Area

83.426

Acid Dissociation Constant (pKa)

11.08

Base Dissociation Constant (pKb)

-3.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.10

C390-0572 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C390-0572 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C390-0572?
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What is the minimum amount of C390-0572 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C390-0572
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C390-0572
  • 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 C390-0572 available by request