5762-1671 Screening compound: methyl 4-(5-{[(4E)-1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl}furan-2-yl)benzoate

5762-1671 Screening compound: methyl 4-(5-{[(4E)-1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl}furan-2-yl)benzoate
5762-1671 Screening compound: methyl 4-(5-{[(4E)-1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl}furan-2-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5762-1671
methyl 4-(5-{[(4E)-1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl}furan-2-yl)benzoate

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

5762-1671

Molecular Formula

C22H15ClN2O5 (C22 H15 ClN2 O5)

Compound Name

methyl 4-(5-{[(4E)-1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl}furan-2-yl)benzoate

IUPAC name

methyl 4-(5-{[(4E)-1-(3-chlorophenyl)-25-dioxoimidazolidin-4-ylidene]methyl}furan-2-yl)benzoate

SMILES

COC(c(cc1)ccc1-c1ccc(/C=C(\C(N2c3cccc(Cl)c3)=O)/NC2=O)o1)=O

InChI

InChI=1S/C22H15ClN2O5/c1-29-21(27)14-7-5-13(6-8-14)19-10-9-17(30-19)12-18-20(26)25(22(28)24-18)16-4-2-3-15(23)11-16/h2-12H,1H3,(H,24,28)

InChI Key

OPIRWFHPJSVYPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03923397

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.82

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.895

Distribution Coefficient, logD

4.892

Water Solubility, LogSw

-4.99

Polar Surface Area

68.803

Acid Dissociation Constant (pKa)

9.57

Base Dissociation Constant (pKb)

-6.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

5762-1671 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5762-1671 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5762-1671?
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What is the minimum amount of 5762-1671 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5762-1671
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5762-1671
  • 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 5762-1671 available by request