3175-0606 Screening compound: 2-[(Z)-1-(1,3-benzodioxol-5-yl)methylidene][1,3]thiazolo[2',3':2,3]imidazo[4,5-b]pyridin-3-one

3175-0606 Screening compound: 2-[(Z)-1-(1,3-benzodioxol-5-yl)methylidene][1,3]thiazolo[2',3':2,3]imidazo[4,5-b]pyridin-3-one
3175-0606 Screening compound: 2-[(Z)-1-(1,3-benzodioxol-5-yl)methylidene][1,3]thiazolo[2',3':2,3]imidazo[4,5-b]pyridin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3175-0606
2-[(Z)-1-(1,3-benzodioxol-5-yl)methylidene][1,3]thiazolo[2',3':2,3]imidazo[4,5-b]pyridin-3-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

3175-0606

Molecular Formula

C16H9N3O3S (C16 H9 N3 O3 S)

Compound Name

2-[(Z)-1-(1,3-benzodioxol-5-yl)methylidene][1,3]thiazolo[2',3':2,3]imidazo[4,5-b]pyridin-3-one

IUPAC name

(4Z)-4-[(2H-13-benzodioxol-5-yl)methylidene]-5-thia-2712-triazatricyclo[6.4.0.0^{26}]dodeca-1(8)6911-tetraen-3-one

SMILES

O=C(/C(/S1)=C/c(cc2)cc3c2OCO3)n2c1nc1c2nccc1

InChI

InChI=1S/C16H9N3O3S/c20-15-13(7-9-3-4-11-12(6-9)22-8-21-11)23-16-18-10-2-1-5-17-14(10)19(15)16/h1-7H,8H2

InChI Key

LTOFZHKFDDFNEJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01836826

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.582

Distribution Coefficient, logD

2.582

Water Solubility, LogSw

-3.04

Polar Surface Area

51.475

Acid Dissociation Constant (pKa)

38.32

Base Dissociation Constant (pKb)

-3.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

3175-0606 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3175-0606 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3175-0606?
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What is the minimum amount of 3175-0606 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3175-0606
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3175-0606
  • 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 3175-0606 available by request