6624-0139 Screening compound: N-[(2E,5Z)-4-oxo-3-(prop-2-en-1-yl)-5-{2-[(2E)-1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene]ethylidene}-1,3-thiazolidin-2-ylidene]benzenesulfonamide

6624-0139 Screening compound: N-[(2E,5Z)-4-oxo-3-(prop-2-en-1-yl)-5-{2-[(2E)-1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene]ethylidene}-1,3-thiazolidin-2-ylidene]benzenesulfonamide
6624-0139 Screening compound: N-[(2E,5Z)-4-oxo-3-(prop-2-en-1-yl)-5-{2-[(2E)-1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene]ethylidene}-1,3-thiazolidin-2-ylidene]benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6624-0139
N-[(2E,5Z)-4-oxo-3-(prop-2-en-1-yl)-5-{2-[(2E)-1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene]ethylidene}-1,3-thiazolidin-2-ylidene]benzenesulfonamide

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

6624-0139

Molecular Formula

C25H25N3O3S2 (C25 H25 N3 O3 S2)

Compound Name

N-[(2E,5Z)-4-oxo-3-(prop-2-en-1-yl)-5-{2-[(2E)-1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene]ethylidene}-1,3-thiazolidin-2-ylidene]benzenesulfonamide

IUPAC name

N-[(2E5Z)-4-oxo-3-(prop-2-en-1-yl)-5-{2-[(2E)-133-trimethyl-23-dihydro-1H-indol-2-ylidene]ethylidene}-13-thiazolidin-2-ylidene]benzenesulfonamide

SMILES

CC1(C)c(cccc2)c2N(C)/C1=C/C=C(/C(N1CC=C)=O)\S/C1=N/S(c1ccccc1)(=O)=O

InChI

InChI=1S/C25H25N3O3S2/c1-5-17-28-23(29)21(32-24(28)26-33(30,31)18-11-7-6-8-12-18)15-16-22-25(2,3)19-13-9-10-14-20(19)27(22)4/h5-16H,1,17H2,2-4H3

InChI Key

XOBRVCUZADZXRT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05717348

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.633

Distribution Coefficient, logD

4.633

Water Solubility, LogSw

-4.51

Polar Surface Area

57.867

Acid Dissociation Constant (pKa)

29.66

Base Dissociation Constant (pKb)

3.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

6624-0139 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 6624-0139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6624-0139?
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What is the minimum amount of 6624-0139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6624-0139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6624-0139
  • 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 6624-0139 available by request