1058-0110 Screening compound: (5Z)-5-{[5-(2-chlorophenyl)furan-2-yl]methylidene}-2-sulfanylideneimidazolidin-4-one

1058-0110 Screening compound: (5Z)-5-{[5-(2-chlorophenyl)furan-2-yl]methylidene}-2-sulfanylideneimidazolidin-4-one
1058-0110 Screening compound: (5Z)-5-{[5-(2-chlorophenyl)furan-2-yl]methylidene}-2-sulfanylideneimidazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1058-0110
(5Z)-5-{[5-(2-chlorophenyl)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

1058-0110

Molecular Formula

C14H9ClN2O2S (C14 H9 ClN2 O2 S)

Compound Name

(5Z)-5-{[5-(2-chlorophenyl)furan-2-yl]methylidene}-2-sulfanylideneimidazolidin-4-one

IUPAC name

(5Z)-5-{[5-(2-chlorophenyl)furan-2-yl]methylidene}-2-sulfanylideneimidazolidin-4-one

SMILES

O=C(/C(/N1)=C/c2ccc(-c(cccc3)c3Cl)o2)NC1=S

InChI

InChI=1S/C14H9ClN2O2S/c15-10-4-2-1-3-9(10)12-6-5-8(19-12)7-11-13(18)17-14(20)16-11/h1-7H,(H2,16,17,18,20)

InChI Key

MDWYQYJBHPWFDF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00715232

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.76

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.389

Distribution Coefficient, logD

3.366

Water Solubility, LogSw

-4.00

Polar Surface Area

43.864

Acid Dissociation Constant (pKa)

8.67

Base Dissociation Constant (pKb)

0.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1058-0110 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1058-0110 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1058-0110?
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What is the minimum amount of 1058-0110 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1058-0110
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1058-0110
  • 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 1058-0110 available by request