2159-2999 Screening compound: N-(3-chlorophenyl)-4-{5-[(5E)-3-{3-[(3-chlorophenyl)carbamoyl]propyl}-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}butanamide

2159-2999 Screening compound: N-(3-chlorophenyl)-4-{5-[(5E)-3-{3-[(3-chlorophenyl)carbamoyl]propyl}-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}butanamide
2159-2999 Screening compound: N-(3-chlorophenyl)-4-{5-[(5E)-3-{3-[(3-chlorophenyl)carbamoyl]propyl}-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2159-2999
N-(3-chlorophenyl)-4-{5-[(5E)-3-{3-[(3-chlorophenyl)carbamoyl]propyl}-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}butanamide

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

2159-2999

Molecular Formula

C26H22Cl2N4O4S4 (C26 H22 Cl2 N4 O4 S4)

Compound Name

N-(3-chlorophenyl)-4-{5-[(5E)-3-{3-[(3-chlorophenyl)carbamoyl]propyl}-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}butanamide

IUPAC name

N-(3-chlorophenyl)-4-{5-[(5E)-3-{3-[(3-chlorophenyl)carbamoyl]propyl}-4-oxo-2-sulfanylidene-13-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl}butanamide

SMILES

O=C(CCCN(C(/C(/S1)=C(/C(N2CCCC(Nc3cccc(Cl)c3)=O)=O)\SC2=S)=O)C1=S)Nc1cc(Cl)ccc1

InChI

InChI=1S/C26H22Cl2N4O4S4/c27-15-5-1-7-17(13-15)29-19(33)9-3-11-31-23(35)21(39-25(31)37)22-24(36)32(26(38)40-22)12-4-10-20(34)30-18-8-2-6-16(28)14-18/h1-2,5-8,13-14H,3-4,9-12H2,(H,29,33)(H,30,34)

InChI Key

BOMHGJABWQJFDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00307171

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

653.65

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.679

Distribution Coefficient, logD

4.679

Water Solubility, LogSw

-4.77

Polar Surface Area

79.173

Acid Dissociation Constant (pKa)

10.64

Base Dissociation Constant (pKb)

0.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

References: we are preparing a list of scientific research reports with 2159-2999 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2159-2999?
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What is the minimum amount of 2159-2999 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2159-2999
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2159-2999
  • 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 2159-2999 available by request