6000-1108 Screening compound: 2-{5-[(3Z)-1-{[(4-methoxyphenyl)carbamoyl]methyl}-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetic acid

6000-1108 Screening compound: 2-{5-[(3Z)-1-{[(4-methoxyphenyl)carbamoyl]methyl}-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetic acid
6000-1108 Screening compound: 2-{5-[(3Z)-1-{[(4-methoxyphenyl)carbamoyl]methyl}-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6000-1108
2-{5-[(3Z)-1-{[(4-methoxyphenyl)carbamoyl]methyl}-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-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

6000-1108

Molecular Formula

C22H17N3O6S2 (C22 H17 N3 O6 S2)

Compound Name

2-{5-[(3Z)-1-{[(4-methoxyphenyl)carbamoyl]methyl}-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetic acid

IUPAC name

2-{5-[(3Z)-1-{[(4-methoxyphenyl)carbamoyl]methyl}-2-oxo-23-dihydro-1H-indol-3-ylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl}acetic acid

SMILES

COc(cc1)ccc1NC(CN(c(cccc1)c1/C1=C(\C(N2CC(O)=O)=O)/SC2=S)C1=O)=O

InChI

InChI=1S/C22H17N3O6S2/c1-31-13-8-6-12(7-9-13)23-16(26)10-24-15-5-3-2-4-14(15)18(20(24)29)19-21(30)25(11-17(27)28)22(32)33-19/h2-9H,10-11H2,1H3,(H,23,26)(H,27,28)

InChI Key

KPQNRPKNLZCXLQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04441490

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.53

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.510

Distribution Coefficient, logD

-1.609

Water Solubility, LogSw

-2.49

Polar Surface Area

91.260

Acid Dissociation Constant (pKa)

4.28

Base Dissociation Constant (pKb)

0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

6000-1108 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6000-1108 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6000-1108?
Check Price and Availability of 6000-1108, 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 6000-1108 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6000-1108
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6000-1108
  • 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 6000-1108 available by request