5629-2438 Screening compound: (5Z)-5-{[3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(thiophen-2-yl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one

5629-2438 Screening compound: (5Z)-5-{[3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(thiophen-2-yl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one
5629-2438 Screening compound: (5Z)-5-{[3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(thiophen-2-yl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5629-2438
(5Z)-5-{[3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(thiophen-2-yl)-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

5629-2438

Molecular Formula

C27H19N5O2S2 (C27 H19 N5 O2 S2)

Compound Name

(5Z)-5-{[3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(thiophen-2-yl)-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one

IUPAC name

(5Z)-5-{[3-(2-methyl-23-dihydro-1-benzofuran-5-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(thiophen-2-yl)-5H6H-[124]triazolo[32-b][13]thiazol-6-one

SMILES

CC(C1)Oc(cc2)c1cc2-c(c(/C=C1\Sc2nc(-c3cccs3)nn2C1=O)c1)nn1-c1ccccc1

InChI

InChI=1S/C27H19N5O2S2/c1-16-12-18-13-17(9-10-21(18)34-16)24-19(15-31(29-24)20-6-3-2-4-7-20)14-23-26(33)32-27(36-23)28-25(30-32)22-8-5-11-35-22/h2-11,13-16H,12H2,1H3/t16-/m1/s1

InChI Key

VFYKNKKBNPZXTI-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD03534785

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.967

Distribution Coefficient, logD

5.967

Water Solubility, LogSw

-5.51

Polar Surface Area

60.249

Acid Dissociation Constant (pKa)

25.54

Base Dissociation Constant (pKb)

-3.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with 5629-2438 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5629-2438?
Check Price and Availability of 5629-2438, 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 5629-2438 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5629-2438
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5629-2438
  • 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 5629-2438 available by request