0878-7317 Screening compound: (4Z)-4-[(4-bromophenyl)methylidene]-2-(4-butoxyphenyl)-1-(4-iodo-2-methylphenyl)-4,5-dihydro-1H-imidazol-5-one

0878-7317 Screening compound: (4Z)-4-[(4-bromophenyl)methylidene]-2-(4-butoxyphenyl)-1-(4-iodo-2-methylphenyl)-4,5-dihydro-1H-imidazol-5-one
0878-7317 Screening compound: (4Z)-4-[(4-bromophenyl)methylidene]-2-(4-butoxyphenyl)-1-(4-iodo-2-methylphenyl)-4,5-dihydro-1H-imidazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0878-7317
(4Z)-4-[(4-bromophenyl)methylidene]-2-(4-butoxyphenyl)-1-(4-iodo-2-methylphenyl)-4,5-dihydro-1H-imidazol-5-one

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

0878-7317

Molecular Formula

C27H24BrIN2O2 (C27 H24 BrIN2 O2)

Compound Name

(4Z)-4-[(4-bromophenyl)methylidene]-2-(4-butoxyphenyl)-1-(4-iodo-2-methylphenyl)-4,5-dihydro-1H-imidazol-5-one

IUPAC name

(4Z)-4-[(4-bromophenyl)methylidene]-2-(4-butoxyphenyl)-1-(4-iodo-2-methylphenyl)-45-dihydro-1H-imidazol-5-one

SMILES

CCCCOc(cc1)ccc1C(N(C1=O)c(cc2)c(C)cc2I)=N/C1=C\c(cc1)ccc1Br

InChI

InChI=1S/C27H24BrIN2O2/c1-3-4-15-33-23-12-7-20(8-13-23)26-30-24(17-19-5-9-21(28)10-6-19)27(32)31(26)25-14-11-22(29)16-18(25)2/h5-14,16-17H,3-4,15H2,1-2H3

InChI Key

UAMNXHXNLLHQKE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00846114

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

615.31

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

8.862

Distribution Coefficient, logD

8.862

Water Solubility, LogSw

-5.67

Polar Surface Area

32.045

Acid Dissociation Constant (pKa)

27.52

Base Dissociation Constant (pKb)

3.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

References: we are preparing a list of scientific research reports with 0878-7317 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0878-7317?
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What is the minimum amount of 0878-7317 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0878-7317
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0878-7317
  • 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 0878-7317 available by request