2027-0216 Screening compound: (5Z)-5-{[5-(4-bromophenyl)furan-2-yl]methylidene}-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

2027-0216 Screening compound: (5Z)-5-{[5-(4-bromophenyl)furan-2-yl]methylidene}-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
2027-0216 Screening compound: (5Z)-5-{[5-(4-bromophenyl)furan-2-yl]methylidene}-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2027-0216
(5Z)-5-{[5-(4-bromophenyl)furan-2-yl]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

2027-0216

Molecular Formula

C20H11BrN2O4S2 (C20 H11 BrN2 O4 S2)

Compound Name

(5Z)-5-{[5-(4-bromophenyl)furan-2-yl]methylidene}-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

IUPAC name

(5Z)-5-{[5-(4-bromophenyl)furan-2-yl]methylidene}-3-(4-nitrophenyl)-2-sulfanylidene-13-thiazolidin-4-one

SMILES

[O-][N+](c(cc1)ccc1N(C(/C(/S1)=C/c2ccc(-c(cc3)ccc3Br)o2)=O)C1=S)=O

InChI

InChI=1S/C20H11BrN2O4S2/c21-13-3-1-12(2-4-13)17-10-9-16(27-17)11-18-19(24)22(20(28)29-18)14-5-7-15(8-6-14)23(25)26/h1-11H

InChI Key

SYDQHLRKDMEHQN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01151098

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.35

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.019

Distribution Coefficient, logD

6.019

Water Solubility, LogSw

-6.05

Polar Surface Area

56.782

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-2.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

2027-0216 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 2027-0216 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2027-0216?
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What is the minimum amount of 2027-0216 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2027-0216
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2027-0216
  • 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 2027-0216 available by request