2083-1996 Screening compound: (5E)-5-{[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylideneimidazolidin-4-one

2083-1996 Screening compound: (5E)-5-{[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylideneimidazolidin-4-one
2083-1996 Screening compound: (5E)-5-{[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylideneimidazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2083-1996
(5E)-5-{[5-(2-bromo-4-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

2083-1996

Molecular Formula

C14H8BrN3O4S (C14 H8 BrN3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C14H8BrN3O4S/c15-10-5-7(18(20)21)1-3-9(10)12-4-2-8(22-12)6-11-13(19)17-14(23)16-11/h1-6H,(H2,16,17,19,23)

InChI Key

YCOSVZCNNIRXKJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01158299

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.21

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.782

Distribution Coefficient, logD

3.759

Water Solubility, LogSw

-4.18

Polar Surface Area

77.245

Acid Dissociation Constant (pKa)

8.67

Base Dissociation Constant (pKb)

0.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 2083-1996 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2083-1996?
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What is the minimum amount of 2083-1996 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2083-1996
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2083-1996
  • 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 2083-1996 available by request