K506-0130 Screening compound: 5-{(E)-1-[4-(dimethylamino)phenyl]methylidene}-3-(3,4-dimethylphenyl)-2-(3-nitrophenyl)-1lambda~6~,3-thiazolane-1,1,4-trione

K506-0130 Screening compound: 5-{(E)-1-[4-(dimethylamino)phenyl]methylidene}-3-(3,4-dimethylphenyl)-2-(3-nitrophenyl)-1lambda~6~,3-thiazolane-1,1,4-trione
K506-0130 Screening compound: 5-{(E)-1-[4-(dimethylamino)phenyl]methylidene}-3-(3,4-dimethylphenyl)-2-(3-nitrophenyl)-1lambda~6~,3-thiazolane-1,1,4-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound K506-0130
5-{(E)-1-[4-(dimethylamino)phenyl]methylidene}-3-(3,4-dimethylphenyl)-2-(3-nitrophenyl)-1lambda~6~,3-thiazolane-1,1,4-trione

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

K506-0130

Molecular Formula

C26H25N3O5S (C26 H25 N3 O5 S)

Compound Name

5-{(E)-1-[4-(dimethylamino)phenyl]methylidene}-3-(3,4-dimethylphenyl)-2-(3-nitrophenyl)-1lambda~6~,3-thiazolane-1,1,4-trione

IUPAC name

(5E)-5-{[4-(dimethylamino)phenyl]methylidene}-3-(34-dimethylphenyl)-2-(3-nitrophenyl)-1lambda63-thiazolidine-114-trione

SMILES

Cc(cc1)c(C)cc1N(C(c1cc([N+]([O-])=O)ccc1)S(/C1=C/c(cc2)ccc2N(C)C)(=O)=O)C1=O

InChI

InChI=1S/C26H25N3O5S/c1-17-8-11-22(14-18(17)2)28-25(30)24(15-19-9-12-21(13-10-19)27(3)4)35(33,34)26(28)20-6-5-7-23(16-20)29(31)32/h5-16,26H,1-4H3/t26-/m0/s1

InChI Key

HYKFOFWCPWIGEQ-SANMLTNESA-N

MDL Number (MFCD)

MFCD01934325

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.111

Distribution Coefficient, logD

5.110

Water Solubility, LogSw

-5.12

Polar Surface Area

80.723

Acid Dissociation Constant (pKa)

16.21

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.20

K506-0130 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K506-0130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K506-0130?
Check Price and Availability of K506-0130, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K506-0130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K506-0130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K506-0130
  • 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 K506-0130 available by request