1682-6818 Screening compound: 5-bromo-3-[(5Z)-3-(4-bromophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2,3-dihydro-1H-indol-2-one

1682-6818 Screening compound: 5-bromo-3-[(5Z)-3-(4-bromophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2,3-dihydro-1H-indol-2-one
1682-6818 Screening compound: 5-bromo-3-[(5Z)-3-(4-bromophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1682-6818
5-bromo-3-[(5Z)-3-(4-bromophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2,3-dihydro-1H-indol-2-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

1682-6818

Molecular Formula

C17H8Br2N2O2S2 (C17 H8 Br2 N2 O2 S2)

Compound Name

5-bromo-3-[(5Z)-3-(4-bromophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2,3-dihydro-1H-indol-2-one

IUPAC name

5-bromo-3-[(5Z)-3-(4-bromophenyl)-4-oxo-2-sulfanylidene-13-thiazolidin-5-ylidene]-23-dihydro-1H-indol-2-one

SMILES

O=C1Nc(ccc(Br)c2)c2/C1=C(\C(N1c(cc2)ccc2Br)=O)/SC1=S

InChI

InChI=1S/C17H8Br2N2O2S2/c18-8-1-4-10(5-2-8)21-16(23)14(25-17(21)24)13-11-7-9(19)3-6-12(11)20-15(13)22/h1-7H,(H,20,22)

InChI Key

LJRAXLJORVRKBQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00376457

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.2

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.821

Distribution Coefficient, logD

4.817

Water Solubility, LogSw

-4.79

Polar Surface Area

41.074

Acid Dissociation Constant (pKa)

9.45

Base Dissociation Constant (pKb)

-1.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1682-6818 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 1682-6818 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1682-6818?
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What is the minimum amount of 1682-6818 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1682-6818
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1682-6818
  • 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 1682-6818 available by request