2083-2005 Screening compound: (5E)-5-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylideneimidazolidin-4-one

2083-2005 Screening compound: (5E)-5-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylideneimidazolidin-4-one
2083-2005 Screening compound: (5E)-5-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylideneimidazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2083-2005
(5E)-5-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylideneimidazolidin-4-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

2083-2005

Molecular Formula

C15H11N3O5S (C15 H11 N3 O5 S)

Compound Name

(5E)-5-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylideneimidazolidin-4-one

IUPAC name

(5E)-5-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylideneimidazolidin-4-one

SMILES

COc(cc1)cc([N+]([O-])=O)c1-c1ccc(/C=C(\C(N2)=O)/NC2=S)o1

InChI

InChI=1S/C15H11N3O5S/c1-22-8-2-4-10(12(7-8)18(20)21)13-5-3-9(23-13)6-11-14(19)17-15(24)16-11/h2-7H,1H3,(H2,16,17,19,24)

InChI Key

RXMJNZXSJIEJCC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01158306

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.34

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.942

Distribution Coefficient, logD

2.919

Water Solubility, LogSw

-3.76

Polar Surface Area

84.488

Acid Dissociation Constant (pKa)

8.67

Base Dissociation Constant (pKb)

0.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

2083-2005 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 2083-2005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2083-2005?
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What is the minimum amount of 2083-2005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2083-2005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2083-2005
  • 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 2083-2005 available by request