2027-0309 Screening compound: 3-(5-{[(5Z)-3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid

2027-0309 Screening compound: 3-(5-{[(5Z)-3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid
2027-0309 Screening compound: 3-(5-{[(5Z)-3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2027-0309
3-(5-{[(5Z)-3-cyclohexyl-4-oxo-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

2027-0309

Molecular Formula

C21H19NO4S2 (C21 H19 NO4 S2)

Compound Name

3-(5-{[(5Z)-3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid

IUPAC name

3-(5-{[(5Z)-3-cyclohexyl-4-oxo-2-sulfanylidene-13-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid

SMILES

OC(c1cccc(-c2ccc(/C=C(/C(N3C4CCCCC4)=O)\SC3=S)o2)c1)=O

InChI

InChI=1S/C21H19NO4S2/c23-19-18(28-21(27)22(19)15-7-2-1-3-8-15)12-16-9-10-17(26-16)13-5-4-6-14(11-13)20(24)25/h4-6,9-12,15H,1-3,7-8H2,(H,24,25)

InChI Key

XTYZAFJGFIELSU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01151184

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.562

Distribution Coefficient, logD

2.049

Water Solubility, LogSw

-5.54

Polar Surface Area

51.642

Acid Dissociation Constant (pKa)

3.89

Base Dissociation Constant (pKb)

0.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

2027-0309 in Drug Discovery

Included in Screening Libraries

Integrin Receptors Targeted library (1715 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 2027-0309 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2027-0309?
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What is the minimum amount of 2027-0309 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2027-0309
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2027-0309
  • 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 2027-0309 available by request