6187-1530 Screening compound: (5Z)-5-{[5-(4-chlorophenyl)furan-2-yl]methylidene}-2-(3,4-dimethoxyphenyl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one

6187-1530 Screening compound: (5Z)-5-{[5-(4-chlorophenyl)furan-2-yl]methylidene}-2-(3,4-dimethoxyphenyl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one
6187-1530 Screening compound: (5Z)-5-{[5-(4-chlorophenyl)furan-2-yl]methylidene}-2-(3,4-dimethoxyphenyl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6187-1530
(5Z)-5-{[5-(4-chlorophenyl)furan-2-yl]methylidene}-2-(3,4-dimethoxyphenyl)-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

6187-1530

Molecular Formula

C23H16ClN3O4S (C23 H16 ClN3 O4 S)

Compound Name

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

IUPAC name

(5Z)-5-{[5-(4-chlorophenyl)furan-2-yl]methylidene}-2-(34-dimethoxyphenyl)-5H6H-[124]triazolo[32-b][13]thiazol-6-one

SMILES

COc(ccc(-c1nn(C(/C(/S2)=C/c3ccc(-c(cc4)ccc4Cl)o3)=O)c2n1)c1)c1OC

InChI

InChI=1S/C23H16ClN3O4S/c1-29-18-9-5-14(11-19(18)30-2)21-25-23-27(26-21)22(28)20(32-23)12-16-8-10-17(31-16)13-3-6-15(24)7-4-13/h3-12H,1-2H3

InChI Key

MARSDRVJOYFNPO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04029443

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.92

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.622

Distribution Coefficient, logD

5.622

Water Solubility, LogSw

-6.09

Polar Surface Area

60.027

Acid Dissociation Constant (pKa)

32.43

Base Dissociation Constant (pKb)

-3.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

References: we are preparing a list of scientific research reports with 6187-1530 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6187-1530?
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What is the minimum amount of 6187-1530 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6187-1530
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6187-1530
  • 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 6187-1530 available by request