3849-0196 Screening compound: 2-(4-fluorophenyl)-9-(4-methylphenyl)tetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione

3849-0196 Screening compound: 2-(4-fluorophenyl)-9-(4-methylphenyl)tetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione
3849-0196 Screening compound: 2-(4-fluorophenyl)-9-(4-methylphenyl)tetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3849-0196
2-(4-fluorophenyl)-9-(4-methylphenyl)tetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione

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

3849-0196

Molecular Formula

C21H20FN3O2 (C21 H20 FN3 O2)

Compound Name

2-(4-fluorophenyl)-9-(4-methylphenyl)tetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione

IUPAC name

4-(4-fluorophenyl)-7-(4-methylphenyl)-148-triazatricyclo[6.3.0.0^{26}]undecane-35-dione

SMILES

Cc1ccc(C(C2C(N3c(cc4)ccc4F)=O)N(CCC4)N4C2C3=O)cc1

InChI

InChI=1S/C21H20FN3O2/c1-13-3-5-14(6-4-13)18-17-19(24-12-2-11-23(18)24)21(27)25(20(17)26)16-9-7-15(22)8-10-16/h3-10,17-19H,2,11-12H2,1H3

InChI Key

GFFYEDNZBYQDOK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02197698

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.251

Distribution Coefficient, logD

2.251

Water Solubility, LogSw

-2.53

Polar Surface Area

36.057

Acid Dissociation Constant (pKa)

14.64

Base Dissociation Constant (pKb)

1.16

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

33.30

3849-0196 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 3849-0196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3849-0196?
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What is the minimum amount of 3849-0196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3849-0196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3849-0196
  • 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 3849-0196 available by request