L653-0596 Screening compound: 2-[(4-ETHOXYPHENYL)FORMAMIDO]-4-(METHYLSULFANYL)-N-[(1,3-THIAZOL-4-YL)METHYL]BUTANAMIDE

L653-0596 Screening compound: 2-[(4-ETHOXYPHENYL)FORMAMIDO]-4-(METHYLSULFANYL)-N-[(1,3-THIAZOL-4-YL)METHYL]BUTANAMIDE
L653-0596 Screening compound: 2-[(4-ETHOXYPHENYL)FORMAMIDO]-4-(METHYLSULFANYL)-N-[(1,3-THIAZOL-4-YL)METHYL]BUTANAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound L653-0596
2-[(4-ETHOXYPHENYL)FORMAMIDO]-4-(METHYLSULFANYL)-N-[(1,3-THIAZOL-4-YL)METHYL]BUTANAMIDE

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

L653-0596

Molecular Formula

C18H23N3O3S2 (C18 H23 N3 O3 S2)

Compound Name

2-[(4-ETHOXYPHENYL)FORMAMIDO]-4-(METHYLSULFANYL)-N-[(1,3-THIAZOL-4-YL)METHYL]BUTANAMIDE

IUPAC name

n/a

SMILES

CCOc(cc1)ccc1C(NC(CCSC)C(NCc1cscn1)=O)=O

InChI

InChI=1S/C18H23N3O3S2/c1-3-24-15-6-4-13(5-7-15)17(22)21-16(8-9-25-2)18(23)19-10-14-11-26-12-20-14/h4-7,11-12,16H,3,8-10H2,1-2H3,(H,19,23)(H,21,22)/t16-/m0/s1

InChI Key

BFMLJNQNQZBHJH-INIZCTEOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.403

Distribution Coefficient, logD

2.403

Water Solubility, LogSw

-2.62

Polar Surface Area

66.214

Acid Dissociation Constant (pKa)

13.17

Base Dissociation Constant (pKb)

1.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.90

L653-0596 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 compounds)

Eccentric PPI Library (11937 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Structure:
  • Mimetics
  • 3D
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with L653-0596 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L653-0596?
Check Price and Availability of L653-0596, 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 L653-0596 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L653-0596
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L653-0596
  • 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 L653-0596 available by request