6194-0128 Screening compound: 4-{[(2E)-4-oxo-5-[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-3-(prop-2-en-1-yl)-1,3-thiazolidin-2-ylidene]amino}benzoic acid

6194-0128 Screening compound: 4-{[(2E)-4-oxo-5-[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-3-(prop-2-en-1-yl)-1,3-thiazolidin-2-ylidene]amino}benzoic acid
6194-0128 Screening compound: 4-{[(2E)-4-oxo-5-[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-3-(prop-2-en-1-yl)-1,3-thiazolidin-2-ylidene]amino}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6194-0128
4-{[(2E)-4-oxo-5-[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-3-(prop-2-en-1-yl)-1,3-thiazolidin-2-ylidene]amino}benzoic 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

6194-0128

Molecular Formula

C21H15N3O4S (C21 H15 N3 O4 S)

Compound Name

4-{[(2E)-4-oxo-5-[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-3-(prop-2-en-1-yl)-1,3-thiazolidin-2-ylidene]amino}benzoic acid

IUPAC name

4-{[(2E)-4-oxo-5-[(3Z)-2-oxo-23-dihydro-1H-indol-3-ylidene]-3-(prop-2-en-1-yl)-13-thiazolidin-2-ylidene]amino}benzoic acid

SMILES

C=CCN(C(/C(/S1)=C(\c(cccc2)c2N2)/C2=O)=O)/C1=N\c(cc1)ccc1C(O)=O

InChI

InChI=1S/C21H15N3O4S/c1-2-11-24-19(26)17(16-14-5-3-4-6-15(14)23-18(16)25)29-21(24)22-13-9-7-12(8-10-13)20(27)28/h2-10H,1,11H2,(H,23,25)(H,27,28)

InChI Key

ICZHXRACRJUFGQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00707769

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.341

Distribution Coefficient, logD

-0.049

Water Solubility, LogSw

-3.69

Polar Surface Area

78.766

Acid Dissociation Constant (pKa)

4.01

Base Dissociation Constant (pKb)

-1.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

References: we are preparing a list of scientific research reports with 6194-0128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6194-0128?
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What is the minimum amount of 6194-0128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6194-0128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6194-0128
  • 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 6194-0128 available by request