2109-0702 Screening compound: N-{5-[(3Z)-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-3-hydroxybenzamide

2109-0702 Screening compound: N-{5-[(3Z)-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-3-hydroxybenzamide
2109-0702 Screening compound: N-{5-[(3Z)-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-3-hydroxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2109-0702
N-{5-[(3Z)-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-3-hydroxybenzamide

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

2109-0702

Molecular Formula

C18H10BrN3O4S2 (C18 H10 BrN3 O4 S2)

Compound Name

N-{5-[(3Z)-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-3-hydroxybenzamide

IUPAC name

N-{5-[(3Z)-5-bromo-2-oxo-23-dihydro-1H-indol-3-ylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl}-3-hydroxybenzamide

SMILES

Oc1cccc(C(NN(C(/C(/S2)=C(\c(cc(cc3)Br)c3N3)/C3=O)=O)C2=S)=O)c1

InChI

InChI=1S/C18H10BrN3O4S2/c19-9-4-5-12-11(7-9)13(16(25)20-12)14-17(26)22(18(27)28-14)21-15(24)8-2-1-3-10(23)6-8/h1-7,23H,(H,20,25)(H,21,24)

InChI Key

HSDJTBPOEYCZFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01166005

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.33

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.825

Distribution Coefficient, logD

2.552

Water Solubility, LogSw

-3.40

Polar Surface Area

85.704

Acid Dissociation Constant (pKa)

7.46

Base Dissociation Constant (pKb)

-0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

2109-0702 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Carbonic Anhydrase II Library (4939 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 2109-0702 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2109-0702?
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What is the minimum amount of 2109-0702 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2109-0702
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2109-0702
  • 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 2109-0702 available by request