8139-0366 Screening compound: 3-({1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl}amino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione

8139-0366 Screening compound: 3-({1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl}amino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
8139-0366 Screening compound: 3-({1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl}amino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8139-0366
3-({1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl}amino)-1-(3-methoxyphenyl)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

8139-0366

Molecular Formula

C22H22ClF3N4O3 (C22 H22 ClF3 N4 O3)

Compound Name

3-({1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl}amino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione

IUPAC name

3-({1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl}amino)-1-(3-methoxyphenyl)pyrrolidine-25-dione

SMILES

COc1cccc(N(C(CC2NC(CC3)CCN3c(ncc(C(F)(F)F)c3)c3Cl)=O)C2=O)c1

InChI

InChI=1S/C22H22ClF3N4O3/c1-33-16-4-2-3-15(10-16)30-19(31)11-18(21(30)32)28-14-5-7-29(8-6-14)20-17(23)9-13(12-27-20)22(24,25)26/h2-4,9-10,12,14,18,28H,5-8,11H2,1H3/t18-/m0/s1

InChI Key

DKRDYRWFZXUQFQ-SFHVURJKSA-N

MDL Number (MFCD)

MFCD06617167

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.89

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.197

Distribution Coefficient, logD

3.195

Water Solubility, LogSw

-3.56

Polar Surface Area

60.509

Acid Dissociation Constant (pKa)

17.24

Base Dissociation Constant (pKb)

4.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

8139-0366 in Drug Discovery

Included in Screening Libraries

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 8139-0366 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8139-0366?
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What is the minimum amount of 8139-0366 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8139-0366
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8139-0366
  • 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 8139-0366 available by request