2027-0268 Screening compound: (5Z)-5-[(3-bromo-2-hydroxy-5-nitrophenyl)methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

2027-0268 Screening compound: (5Z)-5-[(3-bromo-2-hydroxy-5-nitrophenyl)methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
2027-0268 Screening compound: (5Z)-5-[(3-bromo-2-hydroxy-5-nitrophenyl)methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2027-0268
(5Z)-5-[(3-bromo-2-hydroxy-5-nitrophenyl)methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-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

2027-0268

Molecular Formula

C16H8BrN3O6S2 (C16 H8 BrN3 O6 S2)

Compound Name

(5Z)-5-[(3-bromo-2-hydroxy-5-nitrophenyl)methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

IUPAC name

(5Z)-5-[(3-bromo-2-hydroxy-5-nitrophenyl)methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-13-thiazolidin-4-one

SMILES

[O-][N+](c(cc1)ccc1N(C(/C(/S1)=C/c2cc([N+]([O-])=O)cc(Br)c2O)=O)C1=S)=O

InChI

InChI=1S/C16H8BrN3O6S2/c17-12-7-11(20(25)26)5-8(14(12)21)6-13-15(22)18(16(27)28-13)9-1-3-10(4-2-9)19(23)24/h1-7,21H

InChI Key

XPKXLEFIBHBPKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01151147

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.29

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.526

Distribution Coefficient, logD

1.631

Water Solubility, LogSw

-4.32

Polar Surface Area

98.073

Acid Dissociation Constant (pKa)

4.51

Base Dissociation Constant (pKb)

-3.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 2027-0268 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2027-0268?
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What is the minimum amount of 2027-0268 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2027-0268
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2027-0268
  • 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 2027-0268 available by request