1682-1152 Screening compound: (5E)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5-(phenylmethylidene)-1,3-thiazolidine-2,4-dione

1682-1152 Screening compound: (5E)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5-(phenylmethylidene)-1,3-thiazolidine-2,4-dione
1682-1152 Screening compound: (5E)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5-(phenylmethylidene)-1,3-thiazolidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 1682-1152
(5E)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5-(phenylmethylidene)-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

1682-1152

Molecular Formula

C17H19N3O3S (C17 H19 N3 O3 S)

Compound Name

(5E)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5-(phenylmethylidene)-1,3-thiazolidine-2,4-dione

IUPAC name

(5E)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5-(phenylmethylidene)-13-thiazolidine-24-dione

SMILES

CN(CC1)CCN1C(CN(C(/C(/S1)=C\c2ccccc2)=O)C1=O)=O

InChI

InChI=1S/C17H19N3O3S/c1-18-7-9-19(10-8-18)15(21)12-20-16(22)14(24-17(20)23)11-13-5-3-2-4-6-13/h2-6,11H,7-10,12H2,1H3

InChI Key

DVWROVGAPWVENP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00522450

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.415

Distribution Coefficient, logD

1.284

Water Solubility, LogSw

-2.14

Polar Surface Area

49.465

Acid Dissociation Constant (pKa)

22.70

Base Dissociation Constant (pKb)

6.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

1682-1152 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1682-1152 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1682-1152?
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What is the minimum amount of 1682-1152 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1682-1152
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1682-1152
  • 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 1682-1152 available by request