8004-3490 Screening compound: 2-[1-isobutyl-5,5-dimethyl-3-(1-naphthyl)-2-oxo-4-imidazolidinyl]-4-(1-naphthyl)-1,2,4-oxadiazolane-3,5-dione

8004-3490 Screening compound: 2-[1-isobutyl-5,5-dimethyl-3-(1-naphthyl)-2-oxo-4-imidazolidinyl]-4-(1-naphthyl)-1,2,4-oxadiazolane-3,5-dione
8004-3490 Screening compound: 2-[1-isobutyl-5,5-dimethyl-3-(1-naphthyl)-2-oxo-4-imidazolidinyl]-4-(1-naphthyl)-1,2,4-oxadiazolane-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-3490
2-[1-isobutyl-5,5-dimethyl-3-(1-naphthyl)-2-oxo-4-imidazolidinyl]-4-(1-naphthyl)-1,2,4-oxadiazolane-3,5-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

8004-3490

Molecular Formula

C31H30N4O4 (C31 H30 N4 O4)

Compound Name

2-[1-isobutyl-5,5-dimethyl-3-(1-naphthyl)-2-oxo-4-imidazolidinyl]-4-(1-naphthyl)-1,2,4-oxadiazolane-3,5-dione

IUPAC name

2-[55-dimethyl-1-(2-methylpropyl)-3-(naphthalen-1-yl)-2-oxoimidazolidin-4-yl]-4-(naphthalen-1-yl)-124-oxadiazolidine-35-dione

SMILES

CC(C)CN(C(C)(C)C(N1c2cccc3ccccc23)N(C(N2c3cccc4ccccc34)=O)OC2=O)C1=O

InChI

InChI=1S/C31H30N4O4/c1-20(2)19-32-28(36)33(25-17-9-13-21-11-5-7-15-23(21)25)27(31(32,3)4)35-29(37)34(30(38)39-35)26-18-10-14-22-12-6-8-16-24(22)26/h5-18,20,27H,19H2,1-4H3/t27-/m0/s1

InChI Key

QODDZTUFZINRJF-MHZLTWQESA-N

MDL Number (MFCD)

MFCD00745511

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.860

Distribution Coefficient, logD

6.860

Water Solubility, LogSw

-6.75

Polar Surface Area

59.040

Acid Dissociation Constant (pKa)

25.60

Base Dissociation Constant (pKb)

-0.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.81

8004-3490 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Others
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8004-3490 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-3490?
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What is the minimum amount of 8004-3490 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-3490
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-3490
  • 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 8004-3490 available by request