7861-0053 Screening compound: 1-(2,3-dimethylphenyl)-3-{[4-(morpholin-4-yl)phenyl]amino}pyrrolidine-2,5-dione

7861-0053 Screening compound: 1-(2,3-dimethylphenyl)-3-{[4-(morpholin-4-yl)phenyl]amino}pyrrolidine-2,5-dione
7861-0053 Screening compound: 1-(2,3-dimethylphenyl)-3-{[4-(morpholin-4-yl)phenyl]amino}pyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 7861-0053
1-(2,3-dimethylphenyl)-3-{[4-(morpholin-4-yl)phenyl]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

7861-0053

Molecular Formula

C22H25N3O3 (C22 H25 N3 O3)

Compound Name

1-(2,3-dimethylphenyl)-3-{[4-(morpholin-4-yl)phenyl]amino}pyrrolidine-2,5-dione

IUPAC name

1-(23-dimethylphenyl)-3-{[4-(morpholin-4-yl)phenyl]amino}pyrrolidine-25-dione

SMILES

Cc1cccc(N(C(CC2Nc(cc3)ccc3N3CCOCC3)=O)C2=O)c1C

InChI

InChI=1S/C22H25N3O3/c1-15-4-3-5-20(16(15)2)25-21(26)14-19(22(25)27)23-17-6-8-18(9-7-17)24-10-12-28-13-11-24/h3-9,19,23H,10-14H2,1-2H3/t19-/m0/s1

InChI Key

YFQKHRGODYOBGO-IBGZPJMESA-N

MDL Number (MFCD)

MFCD02351393

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.605

Distribution Coefficient, logD

2.605

Water Solubility, LogSw

-2.76

Polar Surface Area

50.647

Acid Dissociation Constant (pKa)

13.65

Base Dissociation Constant (pKb)

4.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

7861-0053 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 7861-0053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7861-0053?
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What is the minimum amount of 7861-0053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7861-0053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7861-0053
  • 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 7861-0053 available by request