L475-0067 Screening compound: 6-({4-[(2E)-3-(4-methylphenyl)prop-2-enoyl]piperazin-1-yl}sulfonyl)-2,3-dihydro-1,3-benzothiazol-2-one

L475-0067 Screening compound: 6-({4-[(2E)-3-(4-methylphenyl)prop-2-enoyl]piperazin-1-yl}sulfonyl)-2,3-dihydro-1,3-benzothiazol-2-one
L475-0067 Screening compound: 6-({4-[(2E)-3-(4-methylphenyl)prop-2-enoyl]piperazin-1-yl}sulfonyl)-2,3-dihydro-1,3-benzothiazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L475-0067
6-({4-[(2E)-3-(4-methylphenyl)prop-2-enoyl]piperazin-1-yl}sulfonyl)-2,3-dihydro-1,3-benzothiazol-2-one

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

L475-0067

Molecular Formula

C21H21N3O4S2 (C21 H21 N3 O4 S2)

Compound Name

6-({4-[(2E)-3-(4-methylphenyl)prop-2-enoyl]piperazin-1-yl}sulfonyl)-2,3-dihydro-1,3-benzothiazol-2-one

IUPAC name

6-({4-[(2E)-3-(4-methylphenyl)prop-2-enoyl]piperazin-1-yl}sulfonyl)-23-dihydro-13-benzothiazol-2-one

SMILES

Cc1ccc(/C=C/C(N(CC2)CCN2S(c(cc2)cc(S3)c2NC3=O)(=O)=O)=O)cc1

InChI

InChI=1S/C21H21N3O4S2/c1-15-2-4-16(5-3-15)6-9-20(25)23-10-12-24(13-11-23)30(27,28)17-7-8-18-19(14-17)29-21(26)22-18/h2-9,14H,10-13H2,1H3,(H,22,26)

InChI Key

SMNTXHKWMQLEIG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27455175

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.415

Distribution Coefficient, logD

3.394

Water Solubility, LogSw

-3.83

Polar Surface Area

72.026

Acid Dissociation Constant (pKa)

8.69

Base Dissociation Constant (pKb)

0.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

L475-0067 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with L475-0067 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L475-0067?
Check Price and Availability of L475-0067, 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 L475-0067 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L475-0067
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L475-0067
  • 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 L475-0067 available by request