2368-1286 Screening compound: (5Z)-5-{[2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-1,3-thiazolidine-2,4-dione

2368-1286 Screening compound: (5Z)-5-{[2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-1,3-thiazolidine-2,4-dione
2368-1286 Screening compound: (5Z)-5-{[2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-1,3-thiazolidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2368-1286
(5Z)-5-{[2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-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

2368-1286

Molecular Formula

C16H13N3O4S (C16 H13 N3 O4 S)

Compound Name

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

IUPAC name

(5Z)-5-{[25-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-13-thiazolidine-24-dione

SMILES

Cc1cc(/C=C(/C(N2)=O)\SC2=O)c(C)n1-c1cc([N+]([O-])=O)ccc1

InChI

InChI=1S/C16H13N3O4S/c1-9-6-11(7-14-15(20)17-16(21)24-14)10(2)18(9)12-4-3-5-13(8-12)19(22)23/h3-8H,1-2H3,(H,17,20,21)

InChI Key

BVNQEEDUGPGRTP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01841704

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.36

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.294

Distribution Coefficient, logD

2.287

Water Solubility, LogSw

-2.96

Polar Surface Area

73.955

Acid Dissociation Constant (pKa)

9.18

Base Dissociation Constant (pKb)

-3.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

2368-1286 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 2368-1286 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2368-1286?
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What is the minimum amount of 2368-1286 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2368-1286
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2368-1286
  • 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 2368-1286 available by request