1013-0218 Screening compound: (5E)-5-{[5-(4-bromophenyl)furan-2-yl]methylidene}-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one

1013-0218 Screening compound: (5E)-5-{[5-(4-bromophenyl)furan-2-yl]methylidene}-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one
1013-0218 Screening compound: (5E)-5-{[5-(4-bromophenyl)furan-2-yl]methylidene}-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1013-0218
(5E)-5-{[5-(4-bromophenyl)furan-2-yl]methylidene}-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-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

1013-0218

Molecular Formula

C17H12BrNO2S2 (C17 H12 BrNO2 S2)

Compound Name

(5E)-5-{[5-(4-bromophenyl)furan-2-yl]methylidene}-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one

IUPAC name

(5E)-5-{[5-(4-bromophenyl)furan-2-yl]methylidene}-3-(prop-2-en-1-yl)-2-sulfanylidene-13-thiazolidin-4-one

SMILES

C=CCN(C(/C(/S1)=C\c2ccc(-c(cc3)ccc3Br)o2)=O)C1=S

InChI

InChI=1S/C17H12BrNO2S2/c1-2-9-19-16(20)15(23-17(19)22)10-13-7-8-14(21-13)11-3-5-12(18)6-4-11/h2-8,10H,1,9H2

InChI Key

OSFBTTUPEXZKOC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01536393

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.440

Distribution Coefficient, logD

5.440

Water Solubility, LogSw

-5.79

Polar Surface Area

24.262

Acid Dissociation Constant (pKa)

33.62

Base Dissociation Constant (pKb)

-1.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

1013-0218 in Drug Discovery

Included in Screening Libraries

Human Proteases Annotated Library (2868 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1013-0218 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1013-0218 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1013-0218
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1013-0218
  • 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 1013-0218 available by request