2109-0658 Screening compound: 5-bromo-3-[(5Z)-3-[4-(diethylamino)phenyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2,3-dihydro-1H-indol-2-one

2109-0658 Screening compound: 5-bromo-3-[(5Z)-3-[4-(diethylamino)phenyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2,3-dihydro-1H-indol-2-one
2109-0658 Screening compound: 5-bromo-3-[(5Z)-3-[4-(diethylamino)phenyl]-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 2109-0658
5-bromo-3-[(5Z)-3-[4-(diethylamino)phenyl]-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

2109-0658

Molecular Formula

C21H18BrN3O2S2 (C21 H18 BrN3 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC)c(cc1)ccc1N(C(/C(/S1)=C(\c(cc(cc2)Br)c2N2)/C2=O)=O)C1=S

InChI

InChI=1S/C21H18BrN3O2S2/c1-3-24(4-2)13-6-8-14(9-7-13)25-20(27)18(29-21(25)28)17-15-11-12(22)5-10-16(15)23-19(17)26/h5-11H,3-4H2,1-2H3,(H,23,26)

InChI Key

PNRCAMPSDKUWIN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01164808

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.797

Distribution Coefficient, logD

4.777

Water Solubility, LogSw

-4.52

Polar Surface Area

43.811

Acid Dissociation Constant (pKa)

9.45

Base Dissociation Constant (pKb)

5.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with 2109-0658 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2109-0658?
Check Price and Availability of 2109-0658, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 2109-0658 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2109-0658
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2109-0658
  • 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 2109-0658 available by request