1499-1122 Screening compound: (5E)-5-{[4-(propan-2-yloxy)phenyl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one

1499-1122 Screening compound: (5E)-5-{[4-(propan-2-yloxy)phenyl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one
1499-1122 Screening compound: (5E)-5-{[4-(propan-2-yloxy)phenyl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1499-1122
(5E)-5-{[4-(propan-2-yloxy)phenyl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-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

1499-1122

Molecular Formula

C13H13NO2S2 (C13 H13 NO2 S2)

Compound Name

(5E)-5-{[4-(propan-2-yloxy)phenyl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one

IUPAC name

(5E)-5-{[4-(propan-2-yloxy)phenyl]methylidene}-2-sulfanylidene-13-thiazolidin-4-one

SMILES

CC(C)Oc1ccc(/C=C(\C(N2)=O)/SC2=S)cc1

InChI

InChI=1S/C13H13NO2S2/c1-8(2)16-10-5-3-9(4-6-10)7-11-12(15)14-13(17)18-11/h3-8H,1-2H3,(H,14,15,17)

InChI Key

DCJDQFRWWUATCO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00571768

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

279.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.333

Distribution Coefficient, logD

0.982

Water Solubility, LogSw

-2.93

Polar Surface Area

31.703

Acid Dissociation Constant (pKa)

6.07

Base Dissociation Constant (pKb)

-0.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

1499-1122 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 1499-1122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1499-1122?
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What is the minimum amount of 1499-1122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1499-1122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1499-1122
  • 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 1499-1122 available by request