L475-0139 Screening compound: 6-({4-[(2E)-3-(2-methoxyphenyl)prop-2-enoyl]piperazin-1-yl}sulfonyl)-2,3-dihydro-1,3-benzothiazol-2-one

L475-0139 Screening compound: 6-({4-[(2E)-3-(2-methoxyphenyl)prop-2-enoyl]piperazin-1-yl}sulfonyl)-2,3-dihydro-1,3-benzothiazol-2-one
L475-0139 Screening compound: 6-({4-[(2E)-3-(2-methoxyphenyl)prop-2-enoyl]piperazin-1-yl}sulfonyl)-2,3-dihydro-1,3-benzothiazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L475-0139
6-({4-[(2E)-3-(2-methoxyphenyl)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

L475-0139

Molecular Formula

C21H21N3O5S2 (C21 H21 N3 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

COc1c(/C=C/C(N(CC2)CCN2S(c(cc2)cc(S3)c2NC3=O)(=O)=O)=O)cccc1

InChI

InChI=1S/C21H21N3O5S2/c1-29-18-5-3-2-4-15(18)6-9-20(25)23-10-12-24(13-11-23)31(27,28)16-7-8-17-19(14-16)30-21(26)22-17/h2-9,14H,10-13H2,1H3,(H,22,26)

InChI Key

OSACEYJWMNSHND-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27455227

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.55

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.107

Distribution Coefficient, logD

3.086

Water Solubility, LogSw

-3.62

Polar Surface Area

79.656

Acid Dissociation Constant (pKa)

8.69

Base Dissociation Constant (pKb)

-0.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

L475-0139 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with L475-0139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L475-0139?
Check Price and Availability of L475-0139, 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 L475-0139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L475-0139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L475-0139
  • 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 L475-0139 available by request