8139-0383 Screening compound: 3-{[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]amino}-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione

8139-0383 Screening compound: 3-{[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]amino}-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
8139-0383 Screening compound: 3-{[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]amino}-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8139-0383
3-{[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]amino}-1-(4-ethoxyphenyl)pyrrolidine-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

8139-0383

Molecular Formula

C23H29N5O3 (C23 H29 N5 O3)

Compound Name

3-{[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]amino}-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione

IUPAC name

3-{[1-(46-dimethylpyrimidin-2-yl)piperidin-4-yl]amino}-1-(4-ethoxyphenyl)pyrrolidine-25-dione

SMILES

CCOc(cc1)ccc1N(C(CC1NC(CC2)CCN2c2nc(C)cc(C)n2)=O)C1=O

InChI

InChI=1S/C23H29N5O3/c1-4-31-19-7-5-18(6-8-19)28-21(29)14-20(22(28)30)26-17-9-11-27(12-10-17)23-24-15(2)13-16(3)25-23/h5-8,13,17,20,26H,4,9-12,14H2,1-3H3/t20-/m0/s1

InChI Key

VERTZIHUFUOUNW-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD06617675

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.029

Distribution Coefficient, logD

2.027

Water Solubility, LogSw

-2.69

Polar Surface Area

68.129

Acid Dissociation Constant (pKa)

17.24

Base Dissociation Constant (pKb)

5.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.80

8139-0383 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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 8139-0383 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8139-0383?
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What is the minimum amount of 8139-0383 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8139-0383
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8139-0383
  • 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 8139-0383 available by request