8017-4996 Screening compound: 1-(3-chloro-4-methylphenyl)-3-{[2-(5-methoxy-1H-indol-3-yl)ethyl]amino}pyrrolidine-2,5-dione

8017-4996 Screening compound: 1-(3-chloro-4-methylphenyl)-3-{[2-(5-methoxy-1H-indol-3-yl)ethyl]amino}pyrrolidine-2,5-dione
8017-4996 Screening compound: 1-(3-chloro-4-methylphenyl)-3-{[2-(5-methoxy-1H-indol-3-yl)ethyl]amino}pyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-4996
1-(3-chloro-4-methylphenyl)-3-{[2-(5-methoxy-1H-indol-3-yl)ethyl]amino}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

8017-4996

Molecular Formula

C22H22ClN3O3 (C22 H22 ClN3 O3)

Compound Name

1-(3-chloro-4-methylphenyl)-3-{[2-(5-methoxy-1H-indol-3-yl)ethyl]amino}pyrrolidine-2,5-dione

IUPAC name

1-(3-chloro-4-methylphenyl)-3-{[2-(5-methoxy-1H-indol-3-yl)ethyl]amino}pyrrolidine-25-dione

SMILES

Cc(ccc(N(C(CC1NCCc2c[nH]c(cc3)c2cc3OC)=O)C1=O)c1)c1Cl

InChI

InChI=1S/C22H22ClN3O3/c1-13-3-4-15(9-18(13)23)26-21(27)11-20(22(26)28)24-8-7-14-12-25-19-6-5-16(29-2)10-17(14)19/h3-6,9-10,12,20,24-25H,7-8,11H2,1-2H3/t20-/m1/s1

InChI Key

LCCWXBJQUAEVKF-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD06017358

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.89

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.832

Distribution Coefficient, logD

2.832

Water Solubility, LogSw

-3.42

Polar Surface Area

58.165

Acid Dissociation Constant (pKa)

16.53

Base Dissociation Constant (pKb)

4.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

8017-4996 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 8017-4996 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-4996?
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What is the minimum amount of 8017-4996 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-4996
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-4996
  • 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 8017-4996 available by request