2147-0109 Screening compound: (5E)-5-{[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-3-methyl-1,3-thiazolidine-2,4-dione

2147-0109 Screening compound: (5E)-5-{[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-3-methyl-1,3-thiazolidine-2,4-dione
2147-0109 Screening compound: (5E)-5-{[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-3-methyl-1,3-thiazolidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2147-0109
(5E)-5-{[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-3-methyl-1,3-thiazolidine-2,4-dione

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

2147-0109

Molecular Formula

C17H15BrN2O2S (C17 H15 BrN2 O2 S)

Compound Name

(5E)-5-{[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-3-methyl-1,3-thiazolidine-2,4-dione

IUPAC name

(5E)-5-{[1-(4-bromophenyl)-25-dimethyl-1H-pyrrol-3-yl]methylidene}-3-methyl-13-thiazolidine-24-dione

SMILES

Cc1cc(/C=C(\C(N2C)=O)/SC2=O)c(C)n1-c(cc1)ccc1Br

InChI

InChI=1S/C17H15BrN2O2S/c1-10-8-12(9-15-16(21)19(3)17(22)23-15)11(2)20(10)14-6-4-13(18)5-7-14/h4-9H,1-3H3

InChI Key

FVVCXLUNZYTBGH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01839736

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.29

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.189

Distribution Coefficient, logD

4.189

Water Solubility, LogSw

-4.35

Polar Surface Area

32.298

Acid Dissociation Constant (pKa)

30.69

Base Dissociation Constant (pKb)

-3.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

2147-0109 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2147-0109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2147-0109?
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What is the minimum amount of 2147-0109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2147-0109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2147-0109
  • 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 2147-0109 available by request