K062-0039 Screening compound: N-(naphthalen-2-yl)-2-(3-nitrophenyl)-1,3-thiazolidine-3-carboxamide

K062-0039 Screening compound: N-(naphthalen-2-yl)-2-(3-nitrophenyl)-1,3-thiazolidine-3-carboxamide
K062-0039 Screening compound: N-(naphthalen-2-yl)-2-(3-nitrophenyl)-1,3-thiazolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K062-0039
N-(naphthalen-2-yl)-2-(3-nitrophenyl)-1,3-thiazolidine-3-carboxamide

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

K062-0039

Molecular Formula

C20H17N3O3S (C20 H17 N3 O3 S)

Compound Name

N-(naphthalen-2-yl)-2-(3-nitrophenyl)-1,3-thiazolidine-3-carboxamide

IUPAC name

N-(naphthalen-2-yl)-2-(3-nitrophenyl)-13-thiazolidine-3-carboxamide

SMILES

[O-][N+](c1cccc(C2SCCN2C(Nc2cc3ccccc3cc2)=O)c1)=O

InChI

InChI=1S/C20H17N3O3S/c24-20(21-17-9-8-14-4-1-2-5-15(14)12-17)22-10-11-27-19(22)16-6-3-7-18(13-16)23(25)26/h1-9,12-13,19H,10-11H2,(H,21,24)/t19-/m0/s1

InChI Key

KALUWYXTOYEVTD-IBGZPJMESA-N

MDL Number (MFCD)

MFCD01248593

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.645

Distribution Coefficient, logD

4.645

Water Solubility, LogSw

-5.37

Polar Surface Area

58.608

Acid Dissociation Constant (pKa)

14.07

Base Dissociation Constant (pKb)

-1.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.00

K062-0039 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 K062-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K062-0039?
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What is the minimum amount of K062-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K062-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K062-0039
  • 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 K062-0039 available by request