6187-0937 Screening compound: (5Z)-2-(4-butoxyphenyl)-5-{[4-(diethylamino)phenyl]methylidene}-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one

6187-0937 Screening compound: (5Z)-2-(4-butoxyphenyl)-5-{[4-(diethylamino)phenyl]methylidene}-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one
6187-0937 Screening compound: (5Z)-2-(4-butoxyphenyl)-5-{[4-(diethylamino)phenyl]methylidene}-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6187-0937
(5Z)-2-(4-butoxyphenyl)-5-{[4-(diethylamino)phenyl]methylidene}-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

6187-0937

Molecular Formula

C25H28N4O2S (C25 H28 N4 O2 S)

Compound Name

(5Z)-2-(4-butoxyphenyl)-5-{[4-(diethylamino)phenyl]methylidene}-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one

IUPAC name

(5Z)-2-(4-butoxyphenyl)-5-{[4-(diethylamino)phenyl]methylidene}-5H6H-[124]triazolo[32-b][13]thiazol-6-one

SMILES

CCCCOc(cc1)ccc1-c1nn(C(/C(/S2)=C/c(cc3)ccc3N(CC)CC)=O)c2n1

InChI

InChI=1S/C25H28N4O2S/c1-4-7-16-31-21-14-10-19(11-15-21)23-26-25-29(27-23)24(30)22(32-25)17-18-8-12-20(13-9-18)28(5-2)6-3/h8-15,17H,4-7,16H2,1-3H3

InChI Key

SWKKUMHGKVWUBL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03141833

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.334

Distribution Coefficient, logD

6.332

Water Solubility, LogSw

-5.47

Polar Surface Area

47.350

Acid Dissociation Constant (pKa)

27.52

Base Dissociation Constant (pKb)

8.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

References: we are preparing a list of scientific research reports with 6187-0937 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6187-0937?
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What is the minimum amount of 6187-0937 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6187-0937
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6187-0937
  • 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 6187-0937 available by request