3771-5585 Screening compound: (4Z)-2-(2-iodophenyl)-4-[(5-nitrofuran-2-yl)methylidene]-4,5-dihydro-1,3-oxazol-5-one

3771-5585 Screening compound: (4Z)-2-(2-iodophenyl)-4-[(5-nitrofuran-2-yl)methylidene]-4,5-dihydro-1,3-oxazol-5-one
3771-5585 Screening compound: (4Z)-2-(2-iodophenyl)-4-[(5-nitrofuran-2-yl)methylidene]-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3771-5585
(4Z)-2-(2-iodophenyl)-4-[(5-nitrofuran-2-yl)methylidene]-4,5-dihydro-1,3-oxazol-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

3771-5585

Molecular Formula

C14H7IN2O5 (C14 H7 IN2 O5)

Compound Name

(4Z)-2-(2-iodophenyl)-4-[(5-nitrofuran-2-yl)methylidene]-4,5-dihydro-1,3-oxazol-5-one

IUPAC name

(4Z)-2-(2-iodophenyl)-4-[(5-nitrofuran-2-yl)methylidene]-45-dihydro-13-oxazol-5-one

SMILES

[O-][N+](c1ccc(/C=C2\N=C(c(cccc3)c3I)OC2=O)o1)=O

InChI

InChI=1S/C14H7IN2O5/c15-10-4-2-1-3-9(10)13-16-11(14(18)22-13)7-8-5-6-12(21-8)17(19)20/h1-7H

InChI Key

CGRJDODIHIUBCX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02633921

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.12

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.949

Distribution Coefficient, logD

2.949

Water Solubility, LogSw

-3.70

Polar Surface Area

72.206

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

0.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 3771-5585 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3771-5585?
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What is the minimum amount of 3771-5585 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3771-5585
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3771-5585
  • 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 3771-5585 available by request