3331-3053 Screening compound: 2-{3-[(5Z)-2-(morpholin-4-yl)-4-oxo-4,5-dihydro-1,3-thiazol-5-ylidene]-2-oxo-2,3-dihydro-1H-indol-1-yl}acetic acid

3331-3053 Screening compound: 2-{3-[(5Z)-2-(morpholin-4-yl)-4-oxo-4,5-dihydro-1,3-thiazol-5-ylidene]-2-oxo-2,3-dihydro-1H-indol-1-yl}acetic acid
3331-3053 Screening compound: 2-{3-[(5Z)-2-(morpholin-4-yl)-4-oxo-4,5-dihydro-1,3-thiazol-5-ylidene]-2-oxo-2,3-dihydro-1H-indol-1-yl}acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3331-3053
2-{3-[(5Z)-2-(morpholin-4-yl)-4-oxo-4,5-dihydro-1,3-thiazol-5-ylidene]-2-oxo-2,3-dihydro-1H-indol-1-yl}acetic acid

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

3331-3053

Molecular Formula

C17H15N3O5S (C17 H15 N3 O5 S)

Compound Name

2-{3-[(5Z)-2-(morpholin-4-yl)-4-oxo-4,5-dihydro-1,3-thiazol-5-ylidene]-2-oxo-2,3-dihydro-1H-indol-1-yl}acetic acid

IUPAC name

2-{3-[(5Z)-2-(morpholin-4-yl)-4-oxo-45-dihydro-13-thiazol-5-ylidene]-2-oxo-23-dihydro-1H-indol-1-yl}acetic acid

SMILES

OC(CN(c(cccc1)c1/C1=C2/SC(N3CCOCC3)=NC2=O)C1=O)=O

InChI

InChI=1S/C17H15N3O5S/c21-12(22)9-20-11-4-2-1-3-10(11)13(16(20)24)14-15(23)18-17(26-14)19-5-7-25-8-6-19/h1-4H,5-9H2,(H,21,22)

InChI Key

DPGNAFSBVBXWPH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01815818

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.39

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.271

Distribution Coefficient, logD

-4.296

Water Solubility, LogSw

-2.23

Polar Surface Area

77.628

Acid Dissociation Constant (pKa)

3.37

Base Dissociation Constant (pKb)

0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

3331-3053 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3331-3053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3331-3053?
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What is the minimum amount of 3331-3053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3331-3053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3331-3053
  • 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 3331-3053 available by request