0930-0013 Screening compound: (5E)-5-{[4-(diethylamino)phenyl]methylidene}-3-[(piperidin-1-yl)methyl]-1,3-thiazolidine-2,4-dione

0930-0013 Screening compound: (5E)-5-{[4-(diethylamino)phenyl]methylidene}-3-[(piperidin-1-yl)methyl]-1,3-thiazolidine-2,4-dione
0930-0013 Screening compound: (5E)-5-{[4-(diethylamino)phenyl]methylidene}-3-[(piperidin-1-yl)methyl]-1,3-thiazolidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 0930-0013
(5E)-5-{[4-(diethylamino)phenyl]methylidene}-3-[(piperidin-1-yl)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

0930-0013

Molecular Formula

C20H27N3O2S (C20 H27 N3 O2 S)

Compound Name

(5E)-5-{[4-(diethylamino)phenyl]methylidene}-3-[(piperidin-1-yl)methyl]-1,3-thiazolidine-2,4-dione

IUPAC name

(5E)-5-{[4-(diethylamino)phenyl]methylidene}-3-[(piperidin-1-yl)methyl]-13-thiazolidine-24-dione

SMILES

CCN(CC)c1ccc(/C=C(\C(N2CN3CCCCC3)=O)/SC2=O)cc1

InChI

InChI=1S/C20H27N3O2S/c1-3-22(4-2)17-10-8-16(9-11-17)14-18-19(24)23(20(25)26-18)15-21-12-6-5-7-13-21/h8-11,14H,3-7,12-13,15H2,1-2H3

InChI Key

YWYCNPMJQJJEEN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00652150

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.251

Distribution Coefficient, logD

3.383

Water Solubility, LogSw

-3.92

Polar Surface Area

37.758

Acid Dissociation Constant (pKa)

27.74

Base Dissociation Constant (pKb)

8.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

0930-0013 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0930-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0930-0013?
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What is the minimum amount of 0930-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0930-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0930-0013
  • 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 0930-0013 available by request