1013-0215 Screening compound: 4-(5-{[(5E)-4-OXO-3-(PROP-2-EN-1-YL)-2-SULFANYLIDENE-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}FURAN-2-YL)BENZOIC ACID

1013-0215 Screening compound: 4-(5-{[(5E)-4-OXO-3-(PROP-2-EN-1-YL)-2-SULFANYLIDENE-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}FURAN-2-YL)BENZOIC ACID
1013-0215 Screening compound: 4-(5-{[(5E)-4-OXO-3-(PROP-2-EN-1-YL)-2-SULFANYLIDENE-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}FURAN-2-YL)BENZOIC ACID alternative view

Chemical Structure Depiction of ChemDiv screening compound 1013-0215
4-(5-{[(5E)-4-OXO-3-(PROP-2-EN-1-YL)-2-SULFANYLIDENE-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}FURAN-2-YL)BENZOIC ACID

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

1013-0215

Molecular Formula

C18H13NO4S2 (C18 H13 NO4 S2)

Compound Name

4-(5-{[(5E)-4-OXO-3-(PROP-2-EN-1-YL)-2-SULFANYLIDENE-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}FURAN-2-YL)BENZOIC ACID

IUPAC name

n/a

SMILES

C=CCN(C(/C(/S1)=C\c2ccc(-c(cc3)ccc3C(O)=O)o2)=O)C1=S

InChI

InChI=1S/C18H13NO4S2/c1-2-9-19-16(20)15(25-18(19)24)10-13-7-8-14(23-13)11-3-5-12(6-4-11)17(21)22/h2-8,10H,1,9H2,(H,21,22)

InChI Key

HDWIFHNHYUITFB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01536391

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.454

Distribution Coefficient, logD

0.727

Water Solubility, LogSw

-4.39

Polar Surface Area

52.670

Acid Dissociation Constant (pKa)

3.67

Base Dissociation Constant (pKb)

-1.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

1013-0215 in Drug Discovery

Included in Screening Libraries

Integrin Receptors Targeted library (1715 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Others
  • Kinases

References: we are preparing a list of scientific research reports with 1013-0215 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1013-0215?
Check Price and Availability of 1013-0215, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 1013-0215 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1013-0215
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1013-0215
  • 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 1013-0215 available by request