4998-0841 Screening compound: 4-(5-{[(4Z)-1-[(3,4-dichlorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl}furan-2-yl)benzonitrile

4998-0841 Screening compound: 4-(5-{[(4Z)-1-[(3,4-dichlorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl}furan-2-yl)benzonitrile
4998-0841 Screening compound: 4-(5-{[(4Z)-1-[(3,4-dichlorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl}furan-2-yl)benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4998-0841
4-(5-{[(4Z)-1-[(3,4-dichlorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl}furan-2-yl)benzonitrile

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

4998-0841

Molecular Formula

C22H13Cl2N3O3 (C22 H13 Cl2 N3 O3)

Compound Name

4-(5-{[(4Z)-1-[(3,4-dichlorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl}furan-2-yl)benzonitrile

IUPAC name

4-(5-{[(4Z)-1-[(34-dichlorophenyl)methyl]-25-dioxoimidazolidin-4-ylidene]methyl}furan-2-yl)benzonitrile

SMILES

N#Cc(cc1)ccc1-c1ccc(/C=C(/C(N2Cc(cc3)cc(Cl)c3Cl)=O)\NC2=O)o1

InChI

InChI=1S/C22H13Cl2N3O3/c23-17-7-3-14(9-18(17)24)12-27-21(28)19(26-22(27)29)10-16-6-8-20(30-16)15-4-1-13(11-25)2-5-15/h1-10H,12H2,(H,26,29)

InChI Key

IOTOIZHVAMYJOC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06663834

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.27

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.574

Distribution Coefficient, logD

5.574

Water Solubility, LogSw

-6.12

Polar Surface Area

65.296

Acid Dissociation Constant (pKa)

12.17

Base Dissociation Constant (pKb)

-0.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

References: we are preparing a list of scientific research reports with 4998-0841 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4998-0841?
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What is the minimum amount of 4998-0841 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4998-0841
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4998-0841
  • 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 4998-0841 available by request