6672-0764 Screening compound: (5E)-5-{[5-(3-chlorophenyl)furan-2-yl]methylidene}-2-[4-(pentyloxy)phenyl]-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one

6672-0764 Screening compound: (5E)-5-{[5-(3-chlorophenyl)furan-2-yl]methylidene}-2-[4-(pentyloxy)phenyl]-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one
6672-0764 Screening compound: (5E)-5-{[5-(3-chlorophenyl)furan-2-yl]methylidene}-2-[4-(pentyloxy)phenyl]-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6672-0764
(5E)-5-{[5-(3-chlorophenyl)furan-2-yl]methylidene}-2-[4-(pentyloxy)phenyl]-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-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

6672-0764

Molecular Formula

C26H22ClN3O3S (C26 H22 ClN3 O3 S)

Compound Name

(5E)-5-{[5-(3-chlorophenyl)furan-2-yl]methylidene}-2-[4-(pentyloxy)phenyl]-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one

IUPAC name

(5E)-5-{[5-(3-chlorophenyl)furan-2-yl]methylidene}-2-[4-(pentyloxy)phenyl]-5H6H-[124]triazolo[32-b][13]thiazol-6-one

SMILES

CCCCCOc(cc1)ccc1-c1nn(C(/C(/S2)=C\c3ccc(-c4cccc(Cl)c4)o3)=O)c2n1

InChI

InChI=1S/C26H22ClN3O3S/c1-2-3-4-14-32-20-10-8-17(9-11-20)24-28-26-30(29-24)25(31)23(34-26)16-21-12-13-22(33-21)18-6-5-7-19(27)15-18/h5-13,15-16H,2-4,14H2,1H3

InChI Key

XKEUVPMDFOVRNH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06308779

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.955

Distribution Coefficient, logD

7.955

Water Solubility, LogSw

-6.47

Polar Surface Area

52.184

Acid Dissociation Constant (pKa)

27.56

Base Dissociation Constant (pKb)

-3.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

References: we are preparing a list of scientific research reports with 6672-0764 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6672-0764?
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What is the minimum amount of 6672-0764 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6672-0764
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6672-0764
  • 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 6672-0764 available by request