8017-7269 Screening compound: 3-[4-(4,6-dimethyl-2-pyrimidinyl)piperazino]-1-(4-fluorophenyl)dihydro-1H-pyrrole-2,5-dione

8017-7269 Screening compound: 3-[4-(4,6-dimethyl-2-pyrimidinyl)piperazino]-1-(4-fluorophenyl)dihydro-1H-pyrrole-2,5-dione
8017-7269 Screening compound: 3-[4-(4,6-dimethyl-2-pyrimidinyl)piperazino]-1-(4-fluorophenyl)dihydro-1H-pyrrole-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-7269
3-[4-(4,6-dimethyl-2-pyrimidinyl)piperazino]-1-(4-fluorophenyl)dihydro-1H-pyrrole-2,5-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

8017-7269

Molecular Formula

C20H22FN5O2 (C20 H22 FN5 O2)

Compound Name

3-[4-(4,6-dimethyl-2-pyrimidinyl)piperazino]-1-(4-fluorophenyl)dihydro-1H-pyrrole-2,5-dione

IUPAC name

3-[4-(46-dimethylpyrimidin-2-yl)piperazin-1-yl]-1-(4-fluorophenyl)pyrrolidine-25-dione

SMILES

Cc1nc(N(CC2)CCN2C(CC(N2c(cc3)ccc3F)=O)C2=O)nc(C)c1

InChI

InChI=1S/C20H22FN5O2/c1-13-11-14(2)23-20(22-13)25-9-7-24(8-10-25)17-12-18(27)26(19(17)28)16-5-3-15(21)4-6-16/h3-6,11,17H,7-10,12H2,1-2H3/t17-/m1/s1

InChI Key

HKAQZYPBEAMGRK-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD06617728

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.384

Distribution Coefficient, logD

1.382

Water Solubility, LogSw

-1.93

Polar Surface Area

52.359

Acid Dissociation Constant (pKa)

16.99

Base Dissociation Constant (pKb)

4.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

8017-7269 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 8017-7269 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-7269?
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What is the minimum amount of 8017-7269 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-7269
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-7269
  • 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 8017-7269 available by request